Geometry & MOs

Info

ID:	68713
PubChem CID:	46508965
Reduced:	O2S2N4C23H24 (1)
Stoich.:	A2B2C4D23E24 (1)
Weight, g/mol:	456.128983
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	1.78
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(propan-2-ylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)C

DOS

IR

Vibrations