Geometry & MOs

Info

ID:	298028
PubChem CID:	117647305
Reduced:	FO4N9C26H36 (1)
Stoich.:	AB4C9D26E36 (1)
Weight, g/mol:	552.287175
ΔH_f, kcal/mol:	-131.41
Dipole, Da:	5.25
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-3-fluoro-6-[[5-fluoro-6-(2-methoxyethoxy)pyridin-3-yl]amino]pyridin-2-yl]amino]-5-methylhexan-2-yl]carbamate

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]([C@@H](CC(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)OC)N3N=CC=N3)C(=O)N)F)NC(=O)OC(C)(C)C

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]([C@@H](CC(C)C)NC1=C(C=C(C(=N1)NC2=CC(=C(N=C2)OC)N3N=CC=N3)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):