Geometry & MOs

Info

ID:	227362
PubChem CID:	87561496
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	494.119082
ΔH_f, kcal/mol:	-93.99
Dipole, Da:	2.38
IP(EA), eV:	-9.39(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(COC2(CCC(CC2)N)OO1)C

DOS

IR

Vibrations