Geometry & MOs

Info

ID:	158944
PubChem CID:	57244265
Reduced:	FNPO6C27H27 (1)
Stoich.:	ABCD6E27F27 (1)
Weight, g/mol:	464.134068
ΔH_f, kcal/mol:	-182.96
Dipole, Da:	5.47
IP(EA), eV:	-9.46(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trimethyl-N-[2-[(1-pyridin-2-ylimidazol-2-yl)-sulfanylmethyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C=CP(=O)(CC(=O)CC4(OO4)O)O)C(C)C

DOS

IR

Vibrations