Geometry & MOs

Info

ID:	79519
PubChem CID:	49816670
Reduced:	ClN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	447.075262
ΔH_f, kcal/mol:	-111.89
Dipole, Da:	3.72
IP(EA), eV:	-8.82(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2,4-dimethoxyphenyl)-2-[2-(3-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations