Geometry & MOs

Info

ID:	57385
PubChem CID:	22395809
Reduced:	N2O2C9H18 (1)
Stoich.:	A2B2C9D18 (1)
Weight, g/mol:	209.05105
ΔH_f, kcal/mol:	-113.96
Dipole, Da:	5.42
IP(EA), eV:	-9.48(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(4-methanethioylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CC(CCC1CC(C(=O)O)N)N

DOS

IR

Vibrations