Geometry & MOs

Info

ID:	402024
PubChem CID:	135053900
Reduced:	ClO4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-164.28
Dipole, Da:	2.55
IP(EA), eV:	-9.92(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R)-2-hydroxy-3-[(Z)-C-phenyl-N-phenylmethoxycarbonylcarbonimidoyl]pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@@H](C)C(=O)C1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations