Geometry & MOs

Info

ID:	46602
PubChem CID:	10525502
Reduced:	O3N8C19H20 (1)
Stoich.:	A3B8C19D20 (1)
Weight, g/mol:	408.226037
ΔH_f, kcal/mol:	115.13
Dipole, Da:	4.86
IP(EA), eV:	-9.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-methoxyphenyl)-2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoylamino]propanoic acid

Drug info:

PubChemData

Smile

C1COCCN1[C@@H]2[C@H](N=NN2C3=CC=C(C=C3)[N+](=O)[O-])CN4C5=CC=CC=C5N=N4

DOS

IR

Vibrations