Geometry & MOs

Info

ID:	68192
PubChem CID:	46507939
Reduced:	SO2N4H20C22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	356.130697
ΔH_f, kcal/mol:	40.23
Dipole, Da:	4.64
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations