Geometry & MOs

Info

ID:	298063
PubChem CID:	117647425
Reduced:	F2O3N6C23H30 (1)
Stoich.:	A2B3C6D23E30 (1)
Weight, g/mol:	506.24531
ΔH_f, kcal/mol:	-187.05
Dipole, Da:	5.51
IP(EA), eV:	-8.63(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-carbamoyl-3-fluoro-6-[(5-fluoro-6-methoxypyridin-3-yl)amino]pyridin-2-yl]amino]-1-cyclopropylbutan-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

CC[C@@H]([C@@H](C1CC1)NC2=C(C=C(C(=N2)NC3=CC(=CN=C3)F)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

CC[C@@H]([C@@H](C1CC1)NC2=C(C=C(C(=N2)NC3=CC(=CN=C3)F)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):