Geometry & MOs

Info

ID:	413965
PubChem CID:	135086917
Reduced:	INS2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	287.94697
ΔH_f, kcal/mol:	35.0
Dipole, Da:	6.94
IP(EA), eV:	-8.56(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-iodo-4-(prop-1-ynylsulfanylmethyl)benzene

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CN2CC(SC2=S)CI

DOS

IR

Vibrations