Geometry & MOs

Info

ID:	129164
PubChem CID:	51071807
Reduced:	N3O4C26H31 (1)
Stoich.:	A3B4C26D31 (1)
Weight, g/mol:	413.231456
ΔH_f, kcal/mol:	-143.66
Dipole, Da:	2.28
IP(EA), eV:	-9.12(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclopropanecarbonyl)-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)C4=CC=CC=C4

DOS

IR

Vibrations