Geometry & MOs

Info

ID:	43838
PubChem CID:	10321865
Reduced:	FN3O6C23H24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	457.143784
ΔH_f, kcal/mol:	-195.96
Dipole, Da:	5.67
IP(EA), eV:	-8.25(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(3,4-dihydroxyphenyl)-N-[9-(2-fluorophenyl)-12-oxo-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]prop-2-enamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC(=C(C=C1)OC)NC2=NC=NC3=CC(=C(C=C32)OC)O[C@@H]4CO[C@@H]5[C@H]4OC[C@H]5F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC(=C(C=C1)OC)NC2=NC=NC3=CC(=C(C=C32)OC)O[C@@H]4CO[C@@H]5[C@H]4OC[C@H]5F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):