Geometry & MOs

Info

ID:	175061
PubChem CID:	75850261
Reduced:	FSO2N3H22C25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	434.05486
ΔH_f, kcal/mol:	-33.57
Dipole, Da:	2.18
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chloro-3-nitrophenyl)-N-(3-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations