Geometry & MOs

Info

ID:	12235
PubChem CID:	133402
Reduced:	NSO2C6H13 (1)
Stoich.:	ABC2D6E13 (1)
Weight, g/mol:	163.0667
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	4.21
IP(EA), eV:	-9.19(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-aminoethylsulfanyl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(CSCCN)C(=O)O

DOS

IR

Vibrations