Geometry & MOs

Info

ID:	198779
PubChem CID:	79149292
Reduced:	BrClNSH11C13 (1)
Stoich.:	ABCDE11F13 (1)
Weight, g/mol:	197.006598
ΔH_f, kcal/mol:	36.4
Dipole, Da:	3.04
IP(EA), eV:	-8.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-prop-2-ynylsulfanylaniline

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)CSC2=CC(=C(C=C2)N)Cl

DOS

IR

Vibrations