Geometry & MOs

Info

ID:	448688
PubChem CID:	135292806
Reduced:	F2S2N3O4C16H19 (1)
Stoich.:	A2B2C3D4E16F19 (1)
Weight, g/mol:	391.251129
ΔH_f, kcal/mol:	-227.4
Dipole, Da:	2.75
IP(EA), eV:	-9.32(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,8R,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)S(=O)(=O)NC(C)(C)C(N)O)C(=O)NC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations