Geometry & MOs

Info

ID:	404289
PubChem CID:	135065757
Reduced:	O2C7H10 (2)
Stoich.:	A2B7C10 (2)
Weight, g/mol:	333.076786
ΔH_f, kcal/mol:	-169.14
Dipole, Da:	3.53
IP(EA), eV:	-8.97(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-2-benzamido-3-(3-chlorophenyl)-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC[C@@H](C1=CC=CC=C1OC)O

DOS

IR

Vibrations