Geometry & MOs

Info

ID:	68194
PubChem CID:	46507944
Reduced:	SO2F3N4H21C24 (1)
Stoich.:	AB2C3D4E21F24 (1)
Weight, g/mol:	407.045503
ΔH_f, kcal/mol:	-135.8
Dipole, Da:	5.14
IP(EA), eV:	-8.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-nitrophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(NC(=S)N1C2=CC=CC(=C2)C(F)(F)F)C3=CN(N=C3)CC4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations