Geometry & MOs

Info

ID:

298060

PubChem CID:

117647417

Reduced:

FO3N8C25H31 (1)

Stoich.:

AB3C8D25E31 (1)

Weight, g/mol:

485.243833

ΔHf, kcal/mol:

-81.38

Dipole, Da:

8.31

IP(EA), eV:

 -8.64(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CC1)NC2=C(C=C(C(=N2)NC3=CC(=CC=C3)N4C=CN=N4)C(=O)N)F)NC(=O)OC(C)(C)C

DOS

IR

Vibrations