Geometry & MOs

Info

ID:	178244
PubChem CID:	76303385
Reduced:	SN2O7C17H24 (1)
Stoich.:	AB2C7D17E24 (1)
Weight, g/mol:	486.157306
ΔH_f, kcal/mol:	-248.99
Dipole, Da:	9.41
IP(EA), eV:	-9.12(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[[6-(3,5-dimethylpyrazol-1-yl)pyridin-3-yl]methylsulfamoyl]-4,5-dimethoxyphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C)NS(=O)(=O)C1=CC(=CC(=C1OC)OC)C=CC(=O)OC

DOS

IR

Vibrations