Geometry & MOs

Info

ID:	297084
PubChem CID:	117608072
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	318.179087
ΔH_f, kcal/mol:	-136.21
Dipole, Da:	2.86
IP(EA), eV:	-10.18(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (4S)-2-(2-aminoethyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Drug info:

PubChemData

Smile

CC(=O)NC(CC1[C@H]2[C@@H]1CCC2)C(=O)O

DOS

IR

Vibrations