Geometry & MOs

Info

ID:	166120
PubChem CID:	74640532
Reduced:	INO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	432.135508
ΔH_f, kcal/mol:	-87.39
Dipole, Da:	7.57
IP(EA), eV:	-8.98(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=CC(=O)OCC(=O)NC2=CC(=CC=C2)I

DOS

IR

Vibrations