Geometry & MOs

Info

ID:

376075

PubChem CID:

134222077

Reduced:

F2P2N3O21C97H103 (1)

Stoich.:

A2B2C3D21E97F103 (1)

Weight, g/mol:

477.029238

ΔHf, kcal/mol:

-750.22

Dipole, Da:

5.32

IP(EA), eV:

 -9.21(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NZ)-N-(aminomethylidene)-N'-[4-[(E)-3-(3,5-dichlorophenyl)-4,4,4-trifluorobut-1-enyl]phenyl]-1-methylsulfonylmethanimidamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2C(C(C(O2)OCC(C(C(COP(=O)(OCC3=CC=CC=C3)OC4C(OC(C4F)OCC(C(C(COP(=O)(OCC5=CC=CC=C5)ON=[N+]=[N-])OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)COCC9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)F)OCC1=CC=CC=C1

DOS

IR

Vibrations