Geometry & MOs

Info

ID:	29016
PubChem CID:	831132
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	343.080435
ΔH_f, kcal/mol:	-45.62
Dipole, Da:	5.34
IP(EA), eV:	-8.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(3-hydroxy-4-nitrophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=NNC(=O)[C@@H]2COC3=CC=CC=C3O2)C

DOS

IR

Vibrations