Geometry & MOs

Info

ID:	214446
PubChem CID:	85083048
Reduced:	SO4C33H42 (1)
Stoich.:	AB4C33D42 (1)
Weight, g/mol:	534.422552
ΔH_f, kcal/mol:	-135.78
Dipole, Da:	5.95
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7,12,16,20,24-hexamethylpentacosa-3,5,7,9,11,13,15,17,19,23-decaenyl)-1,3,4-trimethylbenzene

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)C=CC2=CC(OC2=O)C(C=CC3=C(CCCC3(C)C)C)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations