Geometry & MOs

Info

ID:	319849
PubChem CID:	126657395
Reduced:	ClN2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	457.094371
ΔH_f, kcal/mol:	16.18
Dipole, Da:	1.71
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)phenoxy]-5-nitrobenzenesulfinic acid

Drug info:

PubChemData

Smile

CC1CCN(CC1)C/C(=C/C(=C\N=C)/Cl)/C

DOS

IR

Vibrations