Geometry & MOs

Info

ID:	68734
PubChem CID:	46508999
Reduced:	NSF2O4C18H19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	-218.59
Dipole, Da:	4.2
IP(EA), eV:	-10.16(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-methoxyphenyl)propanamide

Drug info:

PubChemData

Smile

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations