Geometry & MOs

Info

ID:	405102
PubChem CID:	135072523
Reduced:	NOH8C9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	324.157288
ΔH_f, kcal/mol:	3.82
Dipole, Da:	5.17
IP(EA), eV:	-8.9(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2S,4R,5R)-4-hydroxy-5-[2-[5-[(Z)-4-hydroxybut-2-enyl]furan-2-yl]ethyl]oxolan-2-yl]acetate

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3

DOS

IR

Vibrations