Geometry & MOs

Info

ID:	305297
PubChem CID:	124767970
Reduced:	N4O7C9H10 (1)
Stoich.:	A4B7C9D10 (1)
Weight, g/mol:	348.212301
ΔH_f, kcal/mol:	-140.74
Dipole, Da:	6.13
IP(EA), eV:	-10.07(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5'S,8'S,9'R,10'S,13'S,14'R)-10',13'-dimethylspiro[1,3-oxathiolane-2,17'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-3'-one

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

C1=NC2=NO[N+](=C2C(=O)N1[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)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

C1=NC2=NO[N+](=C2C(=O)N1[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):