Geometry & MOs

Info

ID:	244753
PubChem CID:	99381422
Reduced:	FO2N5H20C22 (1)
Stoich.:	AB2C5D20E22 (1)
Weight, g/mol:	465.06961
ΔH_f, kcal/mol:	22.51
Dipole, Da:	4.95
IP(EA), eV:	-9.1(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(1-methylimidazol-2-yl)sulfanyl-N-[[3-(methylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC(=NO1)C2=CC=C(C=C2)F)NC(=O)CN3C4=CC=CC=C4N=C3C5CC5

DOS

IR

Vibrations