Geometry & MOs

Info

ID:	228554
PubChem CID:	87565278
Reduced:	N2O4F6H24C25 (1)
Stoich.:	A2B4C6D24E25 (1)
Weight, g/mol:	809.307005
ΔH_f, kcal/mol:	-411.0
Dipole, Da:	8.99
IP(EA), eV:	-9.21(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9H-fluoren-9-ylmethoxycarbonyl-[5-[2-(methylamino)propanoylamino]-6-oxo-6-[4-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazolidin-3-yl]hexyl]amino] 2,2,2-trifluoroacetate

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

C[C@H](C1=CC=CC=C1)N[C@H](C)C2=NC=C(C=C2)OC3=C(C=C(C=C3)OC)C(F)(F)F.C(=O)(C(F)(F)F)O

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

C[C@H](C1=CC=CC=C1)N[C@H](C)C2=NC=C(C=C2)OC3=C(C=C(C=C3)OC)C(F)(F)F.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):