Geometry & MOs

Info

ID:

328518

PubChem CID:

126724095

Reduced:

OSN7H25C30 (1)

Stoich.:

ABC7D25E30 (1)

Weight, g/mol:

415.146681

ΔHf, kcal/mol:

159.67

Dipole, Da:

4.64

IP(EA), eV:

 -8.28(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(1S)-1-[[(E)-(methylideneamino)-(5-methylimino-1,3-thiazol-4-ylidene)methyl]amino]ethyl]-2-phenylisoquinolin-1-one

Drug info:

PubChemData

Smile

C[C@@H](C1=CC2=C(C(=CC=C2)C3=CN=C4C(=C3)C=CN4)C(=O)N1C5=CC=CC=C5)N/C(=C\6/C(=NC)SC=N6)/N=C

DOS

IR

Vibrations