Geometry & MOs

Info

ID:

62919

PubChem CID:

26737622

Reduced:

FOSN2C16H22 (1)

Stoich.:

ABCD2E16F22 (1)

Weight, g/mol:

456.105625

ΔHf, kcal/mol:

-62.59

Dipole, Da:

5.41

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765020

Charge, e:

 0

Chem-info

IUPAC name:

N'-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)-2-pyridin-3-ylquinoline-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)CCN2[C@H](SCC2=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations