Geometry & MOs

Info

ID:	62670
PubChem CID:	26732642
Reduced:	BrNO4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	427.120192
ΔH_f, kcal/mol:	-105.83
Dipole, Da:	7.03
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-cyano-3-[4-[[4-(dimethylsulfamoyl)benzoyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)C2=CC=CO2

DOS

IR

Vibrations