Geometry & MOs

Info

ID:	224609
PubChem CID:	85345300
Reduced:	NSO4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	283.124215
ΔH_f, kcal/mol:	-128.31
Dipole, Da:	5.87
IP(EA), eV:	-8.86(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(4-methoxyphenyl)methylsulfanyl]hexanoic acid

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC3)C(=O)O)C(C)O

DOS

IR

Vibrations