Geometry & MOs

Info

ID:	387035
PubChem CID:	134983757
Reduced:	NCl2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	385.152537
ΔH_f, kcal/mol:	-67.75
Dipole, Da:	1.53
IP(EA), eV:	-9.43(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S,4R)-2-(methoxymethyl)-5-oxo-4-phenylmethoxyoxolan-3-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[C@]1([C@@H](N1)C2=C(C=CC=C2Cl)Cl)C(=O)OC

DOS

IR

Vibrations