Geometry & MOs

Info

ID:	237385
PubChem CID:	92719007
Reduced:	SO4N5C25H31 (1)
Stoich.:	AB4C5D25E31 (1)
Weight, g/mol:	429.189986
ΔH_f, kcal/mol:	-89.46
Dipole, Da:	9.28
IP(EA), eV:	-8.9(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-(2-hydroxyethylamino)-5-nitrobenzoate

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)/C(=C/C3=C(N(C(=C3)C)CCC)C)/C#N

DOS

IR

Vibrations