Geometry & MOs

Info

ID:	74
PubChem CID:	2066
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	299.155515
ΔH_f, kcal/mol:	-153.86
Dipole, Da:	7.23
IP(EA), eV:	-9.08(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-(3,7-dimethylocta-2,6-dienylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations