Geometry & MOs

Info

ID:	298280
PubChem CID:	117648220
Reduced:	F2O2N9C28H29 (1)
Stoich.:	A2B2C9D28E29 (1)
Weight, g/mol:	495.275802
ΔH_f, kcal/mol:	-27.03
Dipole, Da:	7.83
IP(EA), eV:	-8.85(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-cyano-3-fluoro-6-[(1-methylindazol-6-yl)amino]pyridin-2-yl]amino]heptan-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

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@H](C3=CC=C(C=C3)F)[C@H](C)NC(=O)OC(C)(C)C)N4N=CC=N4

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

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@H](C3=CC=C(C=C3)F)[C@H](C)NC(=O)OC(C)(C)C)N4N=CC=N4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):