Geometry & MOs

Info

ID:	129220
PubChem CID:	51071969
Reduced:	FN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-169.09
Dipole, Da:	4.63
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-benzylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NCCNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CC=C3F

DOS

IR

Vibrations