Geometry & MOs

Info

ID:	180109
PubChem CID:	76579668
Reduced:	ClN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	451.137734
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	3.36
IP(EA), eV:	-9.64(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-[4-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-oxopyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)ON=C(C1=CC(=CC=C1)Cl)N)O

DOS

IR

Vibrations