Geometry & MOs

Info

ID:	129165
PubChem CID:	51071813
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	479.242021
ΔH_f, kcal/mol:	-153.71
Dipole, Da:	3.94
IP(EA), eV:	-9.23(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[4-[(4-methoxybenzoyl)amino]cyclohexyl]-1-(2-phenoxyacetyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2CCC(CC2)NC(=O)[C@@H]3CCCN3C(=O)C4CC4

DOS

IR

Vibrations