Geometry & MOs

Info

ID:	262376
PubChem CID:	103289240
Reduced:	ClSN2O2C15H15 (1)
Stoich.:	ABC2D2E15F15 (1)
Weight, g/mol:	307.02562
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	5.24
IP(EA), eV:	-8.54(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[(2-chlorophenyl)methylsulfanylmethyl]thiophen-2-yl]prop-2-yn-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)CC2=C(C=C(C=C2)C(=O)N)N)Cl

DOS

IR

Vibrations