Geometry & MOs

Info

ID:

313517

PubChem CID:

126615268

Reduced:

OH3C4 (6)

Stoich.:

AB3C4 (6)

Weight, g/mol:

520.18435

ΔHf, kcal/mol:

-161.36

Dipole, Da:

8.52

IP(EA), eV:

 -9.03(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(6R)-6-[[3,5-difluoro-4-(trimethyl-lambda4-sulfanyl)phenyl]carbamoyl]-3,6,8,9-tetrahydro-2H-furo[2,3-f]isoquinolin-7-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C(=O)OC3=CC4=C(C=C3)C(=C(C=C4)C(=O)O)OC

DOS

IR

Vibrations