Geometry & MOs

Info

ID:	129192
PubChem CID:	51071901
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-133.59
Dipole, Da:	8.26
IP(EA), eV:	-9.09(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(2-benzamidoethyl)-1-(2-phenylbutanoyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations