Geometry & MOs

Info

ID:	227153
PubChem CID:	87560363
Reduced:	BrNOC7H17 (1)
Stoich.:	ABCD7E17 (1)
Weight, g/mol:	482.074631
ΔH_f, kcal/mol:	-24.63
Dipole, Da:	3.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751757
Charge, e:	0

Chem-info

IUPAC name:

[1-[1-(3-chloro-2-fluorophenyl)-5-(6-chloropyridin-3-yl)sulfanylpyrazol-3-yl]-2,2-dimethylpropyl] N-methylcarbamate

Drug info:

PubChemData

Smile

CC(OCC[N+](C)(C)C)Br

DOS

IR

Vibrations