Geometry & MOs

Info

ID:	166116
PubChem CID:	74640458
Reduced:	FN3O4H22C23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	436.085971
ΔH_f, kcal/mol:	-119.56
Dipole, Da:	2.29
IP(EA), eV:	-8.7(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C)OC(=O)C=CC3=CC(=CC=C3)F

DOS

IR

Vibrations