Geometry & MOs

Info

ID:	22655
PubChem CID:	598210
Reduced:	ClSO2N3C15H18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	339.080826
ΔH_f, kcal/mol:	-29.65
Dipole, Da:	5.71
IP(EA), eV:	-8.69(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-(4,4,6-trimethyl-2-sulfanylpyrimidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(N=C(N1NC(=O)C2=C(C=CC(=C2)Cl)OC)S)(C)C

DOS

IR

Vibrations