Geometry & MOs

Info

ID:	339805
PubChem CID:	127261814
Reduced:	ClN3O4C18H26 (1)
Stoich.:	AB3C4D18E26 (1)
Weight, g/mol:	203.126991
ΔH_f, kcal/mol:	-186.2
Dipole, Da:	4.83
IP(EA), eV:	-9.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-N-(2-hydroxyethyl)propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations