Geometry & MOs

Info

ID:	63522
PubChem CID:	26758544
Reduced:	ClSN3O5C20H22 (1)
Stoich.:	ABC3D5E20F22 (1)
Weight, g/mol:	456.0177
ΔH_f, kcal/mol:	-86.99
Dipole, Da:	6.63
IP(EA), eV:	-9.24(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(5-bromothiophen-2-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations