Geometry & MOs

Info

ID:	395316
PubChem CID:	135025190
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	266.076536
ΔH_f, kcal/mol:	15.33
Dipole, Da:	5.55
IP(EA), eV:	-9.15(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1,3-diphenylprop-2-ynyl) ethanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC#CC2=CC=CC=C2

DOS

IR

Vibrations