Geometry & MOs

Info

ID:	204633
PubChem CID:	79990071
Reduced:	BrON2S2H11C13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	288.93276
ΔH_f, kcal/mol:	25.68
Dipole, Da:	3.34
IP(EA), eV:	-8.88(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-bromo-4-methylthiophen-2-yl)-chloromethylidene]butanenitrile

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NC2=CC=CC=C2C(=S)N)Br

DOS

IR

Vibrations