Geometry & MOs

Info

ID:	67861
PubChem CID:	46507319
Reduced:	ClNSF3O3H7C15 (1)
Stoich.:	ABCD3E3F7G15 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-198.67
Dipole, Da:	6.24
IP(EA), eV:	-10.01(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,3-dimethoxyphenyl)methyl]-2-[6-(3,5-dimethylphenoxy)pyrimidin-4-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)C2=CNC3=C(C2=O)C=CC(=C3F)Cl)F)F

DOS

IR

Vibrations