Geometry & MOs

Info

ID:	216791
PubChem CID:	85086777
Reduced:	OSN2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	302.167065
ΔH_f, kcal/mol:	-21.96
Dipole, Da:	4.96
IP(EA), eV:	-8.92(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

docosa-4,19-dien-2,9,11,13,21-pentayn-1-ol

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=CC3C(S2)NC4C(N3)C(=O)NC(=O)N4

DOS

IR

Vibrations