Geometry & MOs

Info

ID:	194478
PubChem CID:	78543081
Reduced:	NO7C21H21 (1)
Stoich.:	AB7C21D21 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-208.79
Dipole, Da:	5.8
IP(EA), eV:	-8.4(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCO3)OC

DOS

IR

Vibrations