Geometry & MOs

Info

ID:	121396
PubChem CID:	50766509
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	440.140593
ΔH_f, kcal/mol:	-138.1
Dipole, Da:	4.38
IP(EA), eV:	-8.43(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[benzyl(methyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC=CC(=C2)C)C3=C(C=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)OC)C(=O)O

DOS

IR

Vibrations