Geometry & MOs

Info

ID:	391422
PubChem CID:	135004966
Reduced:	SBr2Cl3H7C14 (1)
Stoich.:	AB2C3D7E14 (1)
Weight, g/mol:	295.02079
ΔH_f, kcal/mol:	70.26
Dipole, Da:	2.84
IP(EA), eV:	-9.19(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-1-bromo-2-(4-methoxyphenyl)ethenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)SC(=C(C(=C(Cl)Cl)Cl)Br)Br

DOS

IR

Vibrations