Geometry & MOs

Info

ID:	290521
PubChem CID:	104643461
Reduced:	ClNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	193.077265
ΔH_f, kcal/mol:	-110.95
Dipole, Da:	1.04
IP(EA), eV:	-8.44(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(3-amino-2-hydroxypropyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)CN2CCCOCC2)Cl

DOS

IR

Vibrations