Geometry & MOs

Info

ID:	227443
PubChem CID:	87561762
Reduced:	NCl2O5F6H21C27 (1)
Stoich.:	AB2C5D6E21F27 (1)
Weight, g/mol:	202.01452
ΔH_f, kcal/mol:	-466.68
Dipole, Da:	6.05
IP(EA), eV:	-8.78(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-2-methyl-4-oxo-1H-pyridin-3-yl)carbamic acid

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)N(CC(=O)O)C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)OC

DOS

IR

Vibrations