Geometry & MOs

Info

ID:	227237
PubChem CID:	87560765
Reduced:	BrClNO4H9C11 (1)
Stoich.:	ABCD4E9F11 (1)
Weight, g/mol:	462.129253
ΔH_f, kcal/mol:	-112.95
Dipole, Da:	9.58
IP(EA), eV:	-10.24(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(6-chloropyridin-3-yl)sulfanyl-1-(3-fluoro-2-methylphenyl)pyrazol-3-yl]-2,2-dimethylpropyl] N-methylcarbamate

Drug info:

PubChemData

Smile

CCO/C=C(/C(=O)C1=C(N=CC(=C1)Br)Cl)\C(=O)O

DOS

IR

Vibrations