Geometry & MOs

Info

ID:

334426

PubChem CID:

127252978

Reduced:

NO5H17C19 (1)

Stoich.:

AB5C17D19 (1)

Weight, g/mol:

593.183186

ΔHf, kcal/mol:

-174.67

Dipole, Da:

9.84

IP(EA), eV:

 -8.46(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-(4-methoxyphenyl)-5-methyl-7-oxofuro[3,2-b]pyran-3-yl]-N-[2-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]sulfonyl]ethyl]acetamide

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)C3=C(C4=C(O3)C=C(NC4=O)C)CC(=O)O

DOS

IR

Vibrations