Geometry & MOs

Info

ID:	167406
PubChem CID:	74820590
Reduced:	NOSH23C27 (1)
Stoich.:	ABCD23E27 (1)
Weight, g/mol:	557.317495
ΔH_f, kcal/mol:	52.19
Dipole, Da:	1.9
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carbonyl)amino]-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC1(C2C(C3=CC=CC=C3S1)C(=O)C4=C2C5=CC=CC=C5N4CC6=CC=CC=C6)C

DOS

IR

Vibrations