Geometry & MOs

Info

ID:	440127
PubChem CID:	135230027
Reduced:	NSO3C26H41 (1)
Stoich.:	ABC3D26E41 (1)
Weight, g/mol:	272.090472
ΔH_f, kcal/mol:	-177.72
Dipole, Da:	5.96
IP(EA), eV:	-8.95(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4Z,6Z)-3-methylnona-4,6-dienethioyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(C)CC(C)(C)CC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)S)C(=O)O

DOS

IR

Vibrations