Geometry & MOs

Info

ID:	148433
PubChem CID:	53788095
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	546.138678
ΔH_f, kcal/mol:	-5.09
Dipole, Da:	1.78
IP(EA), eV:	-8.67(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-[2-amino-3-[2-amino-3-(8-hydroxy-4-oxo-1H-quinoline-2-carbonyl)oxybenzoyl]oxyphenyl]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC=C(O2)C=C

DOS

IR

Vibrations