Geometry & MOs

Info

ID:	57619
PubChem CID:	22426296
Reduced:	ClSO2N5H26C28 (1)
Stoich.:	ABC2D5E26F28 (1)
Weight, g/mol:	357.088019
ΔH_f, kcal/mol:	57.24
Dipole, Da:	7.42
IP(EA), eV:	-8.24(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2=NC3=NC(=C(C(N3N2)C4=CC=C(C=C4)Cl)C(=O)NC5=CC=C(C=C5)OC)C

DOS

IR

Vibrations