Geometry & MOs

Info

ID:	54294
PubChem CID:	16960043
Reduced:	FO2N3H12C15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	453.039749
ΔH_f, kcal/mol:	30.6
Dipole, Da:	7.35
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl] (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)F)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations