Geometry & MOs

Info

ID:	379517
PubChem CID:	134438859
Reduced:	SF2O4N5C21H21 (1)
Stoich.:	AB2C4D5E21F21 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-156.05
Dipole, Da:	5.72
IP(EA), eV:	-9.07(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[(3R)-1-[4-cyano-4-(2-methylphenyl)cyclohexyl]pyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

CN1C(=O)C2=C(N1)N=C(C=C2NC3=C(C=C(C=C3)C4CC4)S(=O)(=O)C)NC(=O)[C@H]5CC5(F)F

DOS

IR

Vibrations