Geometry & MOs

Info

ID:

427566

PubChem CID:

135160022

Reduced:

FS2O3N4H25C27 (1)

Stoich.:

AB2C3D4E25F27 (1)

Weight, g/mol:

458.231791

ΔHf, kcal/mol:

-31.36

Dipole, Da:

5.38

IP(EA), eV:

 -8.77(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (7Z)-7-(aminomethylidene)-6-phenylimino-8a-(pyridine-2-carbonyl)-1,3,4,8-tetrahydroisoquinoline-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2CCC3=CC(=NC4=CC=C(C=C4)F)/C(=C\N)/CC3(C2)C(=O)C5=NC=CS5

DOS

IR

Vibrations