Geometry & MOs

Info

ID:	46657
PubChem CID:	10526008
Reduced:	NO5H23C25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	417.160994
ΔH_f, kcal/mol:	-125.29
Dipole, Da:	3.53
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S)-1-[(4R,5R)-5-(2-methylpropyl)-2-oxo-1,3,2-dioxathiolan-4-yl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)[C@@H]2C3=C(C=CC4=CC=CC=C43)C(=O)[C@@H]5N2C(=O)CC5

DOS

IR

Vibrations