Geometry & MOs

Info

ID:	373168
PubChem CID:	131310992
Reduced:	O4H10C11 (1)
Stoich.:	A4B10C11 (1)
Weight, g/mol:	287.941926
ΔH_f, kcal/mol:	-128.87
Dipole, Da:	5.56
IP(EA), eV:	-9.3(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-5-nitro-6-oxo-1H-pyridine-2-sulfonyl chloride

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)C=C(C=C2)C(C(=O)O)O

DOS

IR

Vibrations