Geometry & MOs

Info

ID:	297874
PubChem CID:	117635718
Reduced:	PSO4C11H21 (1)
Stoich.:	ABC4D11E21 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-197.15
Dipole, Da:	1.8
IP(EA), eV:	-8.87(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-methylamino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C[C@H](C[C@](C)([C@H]1COC(O1)(C)C)O)COS#P

DOS

IR

Vibrations