Geometry & MOs

Info

ID:	129173
PubChem CID:	51071846
Reduced:	N3O4C27H33 (1)
Stoich.:	A3B4C27D33 (1)
Weight, g/mol:	555.195661
ΔH_f, kcal/mol:	-149.46
Dipole, Da:	2.15
IP(EA), eV:	-8.75(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(4-benzamidocyclohexyl)-1-[3,5-bis(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCC[C@H]2C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations