Geometry & MOs

Info

ID:	435516
PubChem CID:	135191688
Reduced:	ON3H31C36 (1)
Stoich.:	AB3C31D36 (1)
Weight, g/mol:	168.097272
ΔH_f, kcal/mol:	101.29
Dipole, Da:	2.14
IP(EA), eV:	-8.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z,6Z)-2-methyl-3-methylideneocta-4,6-diene-2-thiol

Drug info:

PubChemData

Smile

C1C[C@@H](CC=C1)CCC2COC3=C2C=CC4=C3C5=CC=CC=C5N4C6=NC7=CC=CC=C7C(=N6)C8=CC=CC=C8

DOS

IR

Vibrations