Geometry & MOs

Info

ID:	25638
PubChem CID:	627685
Reduced:	N2O5H16C20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	420.099122
ΔH_f, kcal/mol:	-102.77
Dipole, Da:	5.08
IP(EA), eV:	-8.26(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[N-acetyl-4-(4-nitrophenyl)sulfonylanilino]propanoate

Drug info:

PubChemData

Smile

CC(=O)OCC1=CC=C(O1)C2=C3C(=C4C=CC=CC4=N3)C=C(N2)C(=O)OC

DOS

IR

Vibrations