Geometry & MOs

Info

ID:	17180
PubChem CID:	487098
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-179.34
Dipole, Da:	10.43
IP(EA), eV:	-9.08(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations