Geometry & MOs

Info

ID:	17469
PubChem CID:	500142
Reduced:	NOSC23H33 (1)
Stoich.:	ABCD23E33 (1)
Weight, g/mol:	371.228286
ΔH_f, kcal/mol:	-62.93
Dipole, Da:	2.37
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C

DOS

IR

Vibrations