Geometry & MOs

Info

ID:	166118
PubChem CID:	74640530
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	452.080885
ΔH_f, kcal/mol:	-110.22
Dipole, Da:	2.45
IP(EA), eV:	-8.71(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-(2-methoxyphenyl)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=C3OC

DOS

IR

Vibrations