Geometry & MOs

Info

ID:	129168
PubChem CID:	51071827
Reduced:	N3O4C24H33 (1)
Stoich.:	A3B4C24D33 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-172.08
Dipole, Da:	1.26
IP(EA), eV:	-9.12(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2CCC(CC2)NC(=O)[C@@H]3CCCN3C(=O)C4CCC4

DOS

IR

Vibrations