Geometry & MOs

Info

ID:	392603
PubChem CID:	135017323
Reduced:	FOH15C21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	573.236267
ΔH_f, kcal/mol:	13.07
Dipole, Da:	3.85
IP(EA), eV:	-9.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S,4R)-8-nitro-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-2,3,4,4a,7,8a-hexahydrochromene-8-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations