Geometry & MOs

Info

ID:

335091

PubChem CID:

127253897

Reduced:

O6N7C40H47 (1)

Stoich.:

A6B7C40D47 (1)

Weight, g/mol:

447.131802

ΔHf, kcal/mol:

-41.06

Dipole, Da:

5.19

IP(EA), eV:

 -8.3(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NNC(=N1)CCCC2=CNC3=CC=CC=C32)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations