Geometry & MOs

Info

ID:	81277
PubChem CID:	49854540
Reduced:	ClSN2O5C32H53 (1)
Stoich.:	ABC2D5E32F53 (1)
Weight, g/mol:	529.194796
ΔH_f, kcal/mol:	-253.42
Dipole, Da:	8.74
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S,9R)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C([C@](C[C@H]([C@@]2(C(CCC13C2C(=O)CC3)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@@H](C(C)C)N)(C)C=C)O.Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1C([C@](C[C@H]([C@@]2(C(CCC13C2C(=O)CC3)C)C)OC(=O)CS[C@H]4CCCN(C4)C(=O)[C@@H](C(C)C)N)(C)C=C)O.Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):