Geometry & MOs

Info

ID:

427565

PubChem CID:

135159999

Reduced:

OSF4N5H25C29 (1)

Stoich.:

ABC4D5E25F29 (1)

Weight, g/mol:

536.135211

ΔHf, kcal/mol:

-108.54

Dipole, Da:

5.63

IP(EA), eV:

 -8.88(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(7Z)-7-(aminomethylidene)-6-(4-fluorophenyl)imino-2-(3-methylphenyl)sulfonyl-1,3,4,8-tetrahydroisoquinolin-8a-yl]-(1,3-thiazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C(=O)C23C/C(=C/N)/C(=NC4=CC=C(C=C4)F)C=C2CCN(C3)SC5=CC(=NC=C5)C(F)(F)F

DOS

IR

Vibrations