Geometry & MOs

Info

ID:	39355
PubChem CID:	8140457
Reduced:	ON4C24H31 (1)
Stoich.:	AB4C24D31 (1)
Weight, g/mol:	394.160066
ΔH_f, kcal/mol:	31.72
Dipole, Da:	4.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008488
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[5-(dimethylsulfamoyl)-2-fluorobenzoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=CC=CC=C3C[NH+](C)C)C

DOS

IR

Vibrations