Geometry & MOs

Info

ID:	154401
PubChem CID:	56313828
Reduced:	F3O3N4C21H27 (1)
Stoich.:	A3B3C4D21E27 (1)
Weight, g/mol:	455.03031
ΔH_f, kcal/mol:	-220.55
Dipole, Da:	5.1
IP(EA), eV:	-8.76(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromopyridin-2-yl)-3-[[2-(4-methylphenyl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CC3=C(C=CC(=C3)OC)OC)C(F)(F)F

DOS

IR

Vibrations