Geometry & MOs

Info

ID:	53060
PubChem CID:	14709491
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-48.42
Dipole, Da:	3.22
IP(EA), eV:	-8.77(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3R)-3-[[3,5-dimethyl-1-(4-methylphenyl)sulfonylpyrazol-4-yl]methyl]-2,2-dimethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=C(C(=N2)C)C[C@@H]3[C@@H](C3(C)C)C(=O)OC)C

DOS

IR

Vibrations