Geometry & MOs

Info

ID:	137272
PubChem CID:	52181641
Reduced:	NS2O4C15H17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	330.157957
ΔH_f, kcal/mol:	-139.04
Dipole, Da:	4.96
IP(EA), eV:	-8.72(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)ethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)COC(=O)C2=C(C=CS2)NS(=O)(=O)C

DOS

IR

Vibrations