Geometry & MOs

Info

ID:	227252
PubChem CID:	87560866
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	336.09089
ΔH_f, kcal/mol:	-7.16
Dipole, Da:	10.01
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-3-ethynyl-4-hexylphenyl)-trimethylsilane

Drug info:

PubChemData

Smile

C1CSC2N1C(=C(C(=O)N2CC3=CN=C(C=C3)Cl)C4=CC=CC=C4)O

DOS

IR

Vibrations