Geometry & MOs

Info

ID:	17470
PubChem CID:	500144
Reduced:	NSO2C24H35 (1)
Stoich.:	ABC2D24E35 (1)
Weight, g/mol:	401.238851
ΔH_f, kcal/mol:	-100.27
Dipole, Da:	2.04
IP(EA), eV:	-8.65(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(4-ethoxy-1,3-thiazol-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

CCOC1=CSC(=N1)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

DOS

IR

Vibrations