Geometry & MOs

Info

ID:	17472
PubChem CID:	500153
Reduced:	NSO2C23H33 (1)
Stoich.:	ABC2D23E33 (1)
Weight, g/mol:	387.2232
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	3.31
IP(EA), eV:	-9.02(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(5-methoxy-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

CC12CCC3C(C1CCC2C4=NC=C(S4)OC)CC=C5C3(CCC(C5)O)C

DOS

IR

Vibrations