Geometry & MOs

Info

ID:	145357
PubChem CID:	53508123
Reduced:	ON4H16C21 (1)
Stoich.:	AB4C16D21 (1)
Weight, g/mol:	403.156577
ΔH_f, kcal/mol:	87.74
Dipole, Da:	8.43
IP(EA), eV:	-8.59(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyclopentylsulfonylphenyl)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CN2C3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CC=N4

DOS

IR

Vibrations