Geometry & MOs

Info

ID:	245521
PubChem CID:	99453659
Reduced:	N3O4C21H21 (1)
Stoich.:	A3B4C21D21 (1)
Weight, g/mol:	395.103669
ΔH_f, kcal/mol:	-82.3
Dipole, Da:	6.34
IP(EA), eV:	-8.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-phenylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCC[C@H]2C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations