Geometry & MOs

Info

ID:	84565
PubChem CID:	49867944
Reduced:	NNa2S2O7C11H13 (1)
Stoich.:	AB2C2D7E11F13 (1)
Weight, g/mol:	364.097855
ΔH_f, kcal/mol:	-373.6
Dipole, Da:	6.64
IP(EA), eV:	-9.7(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]phenyl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]

DOS

IR

Vibrations