Geometry & MOs

Info

ID:

298041

PubChem CID:

117647337

Reduced:

FO4N8C26H35 (1)

Stoich.:

AB4C8D26E35 (1)

Weight, g/mol:

503.254397

ΔHf, kcal/mol:

-160.0

Dipole, Da:

3.22

IP(EA), eV:

 -7.9(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-6-(3,5-dimethoxyanilino)-3-fluoropyridin-2-yl]amino]-1-cyclopropylpropyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1NC2=C(C=C(C(=N2)NC3=CC4=C(C=C3)N(N=C4N(C)C)C)C(=O)N)F

DOS

IR

Vibrations