Geometry & MOs

Info

ID:	407401
PubChem CID:	135080027
Reduced:	NSO4H15C17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	342.03678
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	6.95
IP(EA), eV:	-9.06(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-bromophenyl)-3-(2-methoxyanilino)but-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)C(=O)OC)C#C

DOS

IR

Vibrations