Geometry & MOs

Info

ID:	129216
PubChem CID:	51071958
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-140.37
Dipole, Da:	3.58
IP(EA), eV:	-9.05(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[2-[(4-methoxybenzoyl)amino]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations