Geometry & MOs

Info

ID:	388542
PubChem CID:	134989438
Reduced:	SN2O3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	197.113125
ΔH_f, kcal/mol:	-130.86
Dipole, Da:	4.1
IP(EA), eV:	-8.88(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trideuteriomethyl (2S,3S)-3-hydroxy-2-methyl-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C1=C(SCC1)N)/N)/C(=O)C

DOS

IR

Vibrations