Geometry & MOs

Info

ID:	394986
PubChem CID:	135024357
Reduced:	NO6C19H25 (1)
Stoich.:	AB6C19D25 (1)
Weight, g/mol:	395.194402
ΔH_f, kcal/mol:	-256.41
Dipole, Da:	1.92
IP(EA), eV:	-9.45(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2S,4R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxymethyl)pentanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C[C@@H](C1=O)COCC2=CC=CC=C2)C(=O)OC

DOS

IR

Vibrations