Geometry & MOs

Info

ID:	406072
PubChem CID:	135076450
Reduced:	NSO2C20H23 (1)
Stoich.:	ABC2D20E23 (1)
Weight, g/mol:	438.168155
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	4.43
IP(EA), eV:	-8.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4-trichlorobut-3-en-1-ynylsulfanyl)octadecane

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C#CN(CC2=CC=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations