Geometry & MOs

Info

ID:	129166
PubChem CID:	51071817
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	585.206225
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	6.47
IP(EA), eV:	-9.07(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2CCC(CC2)NC(=O)[C@@H]3CCCN3C(=O)COC4=CC=CC=C4

DOS

IR

Vibrations