Geometry & MOs

Info

ID:	178038
PubChem CID:	76266999
Reduced:	FO3N6C20H23 (1)
Stoich.:	AB3C6D20E23 (1)
Weight, g/mol:	438.101621
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	7.75
IP(EA), eV:	-9.03(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-chloro-2-methoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NC=CN1C2=C(C=C(C=C2)NC(=O)C3CCC4C(N3)N(C(=O)N(C4=O)C)C)F

DOS

IR

Vibrations