Geometry & MOs

Info

ID:	60216
PubChem CID:	26675919
Reduced:	SN2O7C25H26 (1)
Stoich.:	AB2C7D25E26 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	-236.83
Dipole, Da:	4.76
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2-cyanophenyl)methyl-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations