Geometry & MOs

Info

ID:	227326
PubChem CID:	87561300
Reduced:	NSO3C13H25 (1)
Stoich.:	ABC3D13E25 (1)
Weight, g/mol:	480.103432
ΔH_f, kcal/mol:	-187.48
Dipole, Da:	3.47
IP(EA), eV:	-8.8(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC(CSC(C)(C)C)C(=O)OC(C)C

DOS

IR

Vibrations