Geometry & MOs

Info

ID:	202072
PubChem CID:	79624418
Reduced:	ClO5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	218.108899
ΔH_f, kcal/mol:	-209.04
Dipole, Da:	3.07
IP(EA), eV:	-8.91(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-amino-3-sulfanylidenepropyl)-methylamino]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(COC1=C(C=C(C=C1Cl)CO)OC)C(=O)OC

DOS

IR

Vibrations