Geometry & MOs

Info

ID:	61572
PubChem CID:	26710637
Reduced:	FN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	493.032161
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	2.34
IP(EA), eV:	-8.37(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-1,3-dioxoisoindole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)COC3=CC=CC=C3F

DOS

IR

Vibrations