Geometry & MOs

Info

ID:	406669
PubChem CID:	135078313
Reduced:	NOSH13C14 (1)
Stoich.:	ABCD13E14 (1)
Weight, g/mol:	442.0991
ΔH_f, kcal/mol:	50.03
Dipole, Da:	1.68
IP(EA), eV:	-8.23(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(Z)-4-bromobut-2-enyl]-2-[(3,5-dimethoxyphenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CSC1=CC=CC=C1/C(=N\O)/C2=CC=CC=C2

DOS

IR

Vibrations