Geometry & MOs

Info

ID:	298272
PubChem CID:	117648200
Reduced:	FO2N8C26H33 (1)
Stoich.:	AB2C8D26E33 (1)
Weight, g/mol:	512.214759
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	7.7
IP(EA), eV:	-8.89(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

CCCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=CN=C2)N3C=CC=N3)C#N)F

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

CCCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=CN=C2)N3C=CC=N3)C#N)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):