Geometry & MOs

Info

ID:	60195
PubChem CID:	26675884
Reduced:	SN2O6C25H26 (1)
Stoich.:	AB2C6D25E26 (1)
Weight, g/mol:	463.120192
ΔH_f, kcal/mol:	-181.32
Dipole, Da:	7.7
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-(3-cyanoanilino)-2-oxoethyl]-(4-methylphenyl)sulfonylamino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)CN(C2=CC=C(C=C2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations