Geometry & MOs

Info

ID:	180111
PubChem CID:	76579710
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	441.135842
ΔH_f, kcal/mol:	-112.56
Dipole, Da:	1.64
IP(EA), eV:	-8.56(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-2-[4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-2-oxopyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)C2CC(=O)N(C2)CC(=O)NC3=NC(=CS3)C4CC4)O

DOS

IR

Vibrations