Geometry & MOs

Info

ID:	17471
PubChem CID:	500147
Reduced:	NSO2C25H35 (1)
Stoich.:	ABC2D25E35 (1)
Weight, g/mol:	413.238851
ΔH_f, kcal/mol:	-111.17
Dipole, Da:	2.4
IP(EA), eV:	-9.28(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(5-methyl-1,3-thiazol-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CN=C(S1)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C

DOS

IR

Vibrations