Geometry & MOs

Info

ID:	17468
PubChem CID:	500138
Reduced:	NSO3C25H35 (1)
Stoich.:	ABC3D25E35 (1)
Weight, g/mol:	429.233765
ΔH_f, kcal/mol:	-106.1
Dipole, Da:	3.82
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[17-(4-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-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C5=NC(=CS5)OC)C)C

DOS

IR

Vibrations