Geometry & MOs

Info

ID:	160342
PubChem CID:	57309690
Reduced:	SN4O6C31H46 (1)
Stoich.:	AB4C6D31E46 (1)
Weight, g/mol:	119.980049
ΔH_f, kcal/mol:	-226.74
Dipole, Da:	9.27
IP(EA), eV:	-8.8(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chlorobut-3-yne-1-thiol

Drug info:

PubChemData

Smile

CC(C)CC(=O)N(C(CC1=CC=CC=C1)[C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)NC(=O)C3CCCN3

DOS

IR

Vibrations