Geometry & MOs

Info

ID:	382876
PubChem CID:	134974279
Reduced:	NO6C18H25 (1)
Stoich.:	AB6C18D25 (1)
Weight, g/mol:	313.131408
ΔH_f, kcal/mol:	-221.57
Dipole, Da:	1.98
IP(EA), eV:	-9.23(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,2R)-1-hydroxy-3-oxo-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CC(C1=CC=CC=C1)/C(=N\O)/CC(C(=O)OC)C(=O)OC)O

DOS

IR

Vibrations