Geometry & MOs

Info

ID:	17571
PubChem CID:	505302
Reduced:	Cl3O3N5H22C24 (1)
Stoich.:	A3B3C5D22E24 (1)
Weight, g/mol:	533.078823
ΔH_f, kcal/mol:	-38.35
Dipole, Da:	4.13
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-4-[dimethylcarbamoyl(methyl)amino]phenyl]-N-[(3,4-dichlorophenyl)methyl]-3-oxo-3-pyrimidin-2-ylpropanamide

Drug info:

PubChemData

Smile

CN(C)C(=O)N(C)C1=C(C=C(C=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C3=NC=CC=N3)Cl

DOS

IR

Vibrations