Geometry & MOs

Info

ID:	298386
PubChem CID:	117648821
Reduced:	FSO3N8C28H35 (1)
Stoich.:	ABC3D8E28F35 (1)
Weight, g/mol:	549.287509
ΔH_f, kcal/mol:	-91.37
Dipole, Da:	3.15
IP(EA), eV:	-7.81(-0.42)
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-morpholin-4-ylpyridin-3-yl)amino]pyridin-2-yl]amino]-4-methylpentan-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](C1=CC=CS1)NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4N(C)C)C)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](C1=CC=CS1)NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4N(C)C)C)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):