Geometry & MOs

Info

ID:	46696
PubChem CID:	10526371
Reduced:	NSH10C13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	424.297745
ΔH_f, kcal/mol:	134.35
Dipole, Da:	2.66
IP(EA), eV:	-7.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-hydroxy-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

CC1=C2C=CC=CN2C(=C1C3=CC=CS3)C4=C(C(=C5N4C=CC=C5)C)C6=CC=CS6

DOS

IR

Vibrations