Geometry & MOs

Info

ID:	6379
PubChem CID:	68349
Reduced:	SN3O7C20H27 (1)
Stoich.:	AB3C7D20E27 (1)
Weight, g/mol:	453.156971
ΔH_f, kcal/mol:	-266.27
Dipole, Da:	8.57
IP(EA), eV:	-9.11(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoic acid;2-(2-hydroxyethylamino)ethanol

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCC(=O)O.C(CO)NCCO

DOS

IR

Vibrations