Geometry & MOs

Info

ID:

377893

PubChem CID:

134223959

Reduced:

ClFNO5C22H25 (1)

Stoich.:

ABCD5E22F25 (1)

Weight, g/mol:

380.14193

ΔHf, kcal/mol:

-240.16

Dipole, Da:

11.55

IP(EA), eV:

 -9.43(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-amino-7,11-dimethyl-3-thia-1,10,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-4-yl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-6-ylamino)methanol

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CC2=CC(=C(C=C2C3=C(C(=O)C(=CN13)C(=O)O)F)Cl)OCCCOC

DOS

IR

Vibrations