Geometry & MOs

Info

ID:	320469
PubChem CID:	126661310
Reduced:	NOCl3C21H22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	391.290886
ΔH_f, kcal/mol:	-47.02
Dipole, Da:	3.95
IP(EA), eV:	-9.52(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6Z,9Z,12Z,15Z,18Z)-henicosa-6,9,12,15,18-pentaenoxy]methylamino]ethanethiol

Drug info:

PubChemData

Smile

CCCNC(=O)/C(=C(\C)/C1=CC(=CC(=C1C)C2=CC(=C(C=C2)Cl)Cl)Cl)/C

DOS

IR

Vibrations