Geometry & MOs

Info

ID:

449765

PubChem CID:

135301275

Reduced:

N6O7C42H60 (1)

Stoich.:

A6B7C42D60 (1)

Weight, g/mol:

564.152158

ΔHf, kcal/mol:

-307.29

Dipole, Da:

5.43

IP(EA), eV:

 -8.98(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[4-[2-[6-[difluoro-(9-fluoro-6-hydroxy-5H-tetrazolo[5,1-a]isoquinolin-6-yl)methyl]pyridin-3-yl]ethynyl]phenoxy]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)N(C)CC(=O)NC/C=C/CC(=O)OC2CCCCCC2)NC(=O)C(C)NC(=O)C(CCC3=CC=CC=C3)N

DOS

IR

Vibrations