Geometry & MOs

Info

ID:	262377
PubChem CID:	103289393
Reduced:	ClNS2H14C15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	301.069198
ΔH_f, kcal/mol:	75.18
Dipole, Da:	2.42
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2-chlorophenyl)methylsulfanylmethyl]phenyl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CSCC2=CC=C(S2)C#CCN)Cl

DOS

IR

Vibrations