Geometry & MOs

Info

ID:	164745
PubChem CID:	74446362
Reduced:	N4O4C24H35 (1)
Stoich.:	A4B4C24D35 (1)
Weight, g/mol:	493.14199
ΔH_f, kcal/mol:	-130.73
Dipole, Da:	10.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.794598
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)C[NH+]3CCCCCC3C4=CC=C(C=C4)OC

DOS

IR

Vibrations