Geometry & MOs

Info

ID:	404290
PubChem CID:	135065758
Reduced:	ClNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	377.02627
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	4.91
IP(EA), eV:	-9.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)[C@@H]([C@@H](C1=CC(=CC=C1)Cl)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations