Geometry & MOs

Info

ID:	222261
PubChem CID:	85295768
Reduced:	SN2H14C17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	282.110338
ΔH_f, kcal/mol:	71.99
Dipole, Da:	3.8
IP(EA), eV:	-8.25(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-hydroxy-5-(hydroxymethyl)-3-phenylmethoxyoxolane-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CN=C3N(C2C4=CC=CC=C41)C5=CC=CC=C5S3

DOS

IR

Vibrations