Geometry & MOs

Info

ID:	132336
PubChem CID:	51345264
Reduced:	SN2O4H26C28 (1)
Stoich.:	AB2C4D26E28 (1)
Weight, g/mol:	466.156243
ΔH_f, kcal/mol:	-66.13
Dipole, Da:	5.72
IP(EA), eV:	-8.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C

DOS

IR

Vibrations