Geometry & MOs

Info

ID:	75
PubChem CID:	2067
Reduced:	NSO3C25H41 (1)
Stoich.:	ABC3D25E41 (1)
Weight, g/mol:	435.280715
ΔH_f, kcal/mol:	-161.71
Dipole, Da:	5.1
IP(EA), eV:	-8.64(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O)O)NC(=O)C)C)C)C)C

DOS

IR

Vibrations