Geometry & MOs

Info

ID:	68715
PubChem CID:	46508968
Reduced:	SO4N5H17C18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-53.05
Dipole, Da:	6.41
IP(EA), eV:	-8.6(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethylamino)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NN/C(=C/3\C=NC4=CC=CC=C43)/O2

DOS

IR

Vibrations