Geometry & MOs

Info

ID:	304314
PubChem CID:	124520110
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	324.132136
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	5.7
IP(EA), eV:	-9.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-hydroxy-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C(=O)N2C[C@@H]3CCC[C@@H]([C@@H]3C2)N(C)CC4=CC=CO4

DOS

IR

Vibrations