Geometry & MOs

Info

ID:	188786
PubChem CID:	77766103
Reduced:	SN2O5C29H34 (1)
Stoich.:	AB2C5D29E34 (1)
Weight, g/mol:	309.035705
ΔH_f, kcal/mol:	-149.05
Dipole, Da:	3.56
IP(EA), eV:	-9.08(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-[(2-chlorophenyl)methylsulfanyl]propanoate;hydrochloride

Drug info:

PubChemData

Smile

CC(CCC(=O)NC(CC1=CC=CC=C1)C(=O)CSCC2=CC=CO2)CNC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations