Geometry & MOs

Info

ID:	194769
PubChem CID:	78587901
Reduced:	ClN2O5H11C12 (1)
Stoich.:	AB2C5D11E12 (1)
Weight, g/mol:	388.109293
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	9.76
IP(EA), eV:	-9.71(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-[methyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] but-2-enoate

Drug info:

PubChemData

Smile

CC=CC(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

DOS

IR

Vibrations