Geometry & MOs

Info

ID:	39350
PubChem CID:	8140429
Reduced:	O3N4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	347.142939
ΔH_f, kcal/mol:	28.6
Dipole, Da:	6.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.998136
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[(4-methylsulfonylbenzoyl)amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

DOS

IR

Vibrations