Geometry & MOs

Info

ID:

313522

PubChem CID:

126615305

Reduced:

O4H15C16 (2)

Stoich.:

A4B15C16 (2)

Weight, g/mol:

520.18435

ΔHf, kcal/mol:

-174.04

Dipole, Da:

2.45

IP(EA), eV:

 -8.83(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(C3=C(C2O)C=C(C=C3)OC)OOC4C5=C(C=C(C=C5)OC)C(C6=C4C=CC(=C6)OC)O

DOS

IR

Vibrations