Geometry & MOs

Info

ID:	400023
PubChem CID:	135044601
Reduced:	BrClSN2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	250.084993
ΔH_f, kcal/mol:	21.75
Dipole, Da:	3.32
IP(EA), eV:	-8.83(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5Z)-5,6-bis(methylsulfanyl)hexa-2,5-dien-2-yl]benzene

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CSC(=N1)NC2=C(C=C(C=C2)Br)Cl

DOS

IR

Vibrations