Geometry & MOs

Info

ID:	188577
PubChem CID:	77736553
Reduced:	S2N3O4H15C18 (1)
Stoich.:	A2B3C4D15E18 (1)
Weight, g/mol:	362.24571
ΔH_f, kcal/mol:	-69.85
Dipole, Da:	3.48
IP(EA), eV:	-9.51(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7,17-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=O)C3C=C(SC3NC2=O)C(=O)OCC4=CC=NS4

DOS

IR

Vibrations