Geometry & MOs

Info

ID:	214521
PubChem CID:	85083149
Reduced:	NOC8H10 (4)
Stoich.:	ABC8D10 (4)
Weight, g/mol:	544.229215
ΔH_f, kcal/mol:	-141.95
Dipole, Da:	7.27
IP(EA), eV:	-8.53(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,8,12-trimethyl-1,1-bis(phenylsulfanyl)trideca-3,7,11-trienyl]sulfanylbenzene

Drug info:

PubChemData

Smile

CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=C4C(=C(C(=O)N4)C)CC)CCC(=O)O)C)CC)C)C

DOS

IR

Vibrations