Geometry & MOs

Info

ID:	406070
PubChem CID:	135076448
Reduced:	BrNSO2H14C16 (1)
Stoich.:	ABCD2E14F16 (1)
Weight, g/mol:	410.136855
ΔH_f, kcal/mol:	23.1
Dipole, Da:	3.38
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations