Geometry & MOs

Info

ID:	44984
PubChem CID:	10507004
Reduced:	SN2O5C31H44 (1)
Stoich.:	AB2C5D31E44 (1)
Weight, g/mol:	556.040854
ΔH_f, kcal/mol:	-222.66
Dipole, Da:	1.53
IP(EA), eV:	-8.42(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-4',9',10-trihydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate

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

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O

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

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):