Geometry & MOs

Info

ID:	121087
PubChem CID:	50755392
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	433.059611
ΔH_f, kcal/mol:	-89.35
Dipole, Da:	5.31
IP(EA), eV:	-8.49(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CN2C(=O)C=CN(C2=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations