Geometry & MOs

Info

ID:

436287

PubChem CID:

135197855

Reduced:

FPN4O13C30H42 (1)

Stoich.:

ABC4D13E30F42 (1)

Weight, g/mol:

420.216141

ΔHf, kcal/mol:

-659.56

Dipole, Da:

3.95

IP(EA), eV:

 -9.25(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,4Z)-N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-2-methyl-4-(methylidenehydrazinylidene)but-2-enamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H]([C@@]([C@@H](O1)N2C=CC(=O)N(C2=O)COC(=O)[C@@H]3CCCN3C(O)OC)(C)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations