Geometry & MOs

Info

ID:	14763
PubChem CID:	419800
Reduced:	N4O10C17H20 (1)
Stoich.:	A4B10C17D20 (1)
Weight, g/mol:	440.117943
ΔH_f, kcal/mol:	-334.64
Dipole, Da:	10.32
IP(EA), eV:	-10.23(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-acetyloxy-1-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-amino-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)OCC(C(=O)NCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations