Geometry & MOs

Info

ID:	43413
PubChem CID:	10321257
Reduced:	SO3C27H40 (1)
Stoich.:	AB3C27D40 (1)
Weight, g/mol:	444.269816
ΔH_f, kcal/mol:	-163.69
Dipole, Da:	4.47
IP(EA), eV:	-8.77(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[5-(3-hydroxy-2,3,4,4-tetramethylpentyl)-4-methylthiophen-2-yl]pentan-3-yl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

CCC(CC)(C1=CC(=C(C=C1)C(=O)OC)C)C2=CC(=C(S2)CCC(C)(C(C)(C)C)O)C

DOS

IR

Vibrations