Geometry & MOs

Info

ID:	399310
PubChem CID:	135039592
Reduced:	OSN2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	260.123486
ΔH_f, kcal/mol:	-8.17
Dipole, Da:	6.52
IP(EA), eV:	-7.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(1-phenyloct-7-yn-3-yl) ethanethioate

Drug info:

PubChemData

Smile

CC1=CN(C(=S)N1C2=CC=C(C=C2)OC)C(C)C

DOS

IR

Vibrations