Geometry & MOs

Info

ID:

299912

PubChem CID:

117930990

Reduced:

SF2N6O6H22C28 (1)

Stoich.:

AB2C6D6E22F28 (1)

Weight, g/mol:

581.190832

ΔHf, kcal/mol:

-187.71

Dipole, Da:

9.1

IP(EA), eV:

 -9.21(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[2,6-difluoro-4-[[4-(methylaminomethyl)phenyl]sulfanylamino]benzoyl]amino]-3-[4-(2-methyl-5-oxopyrazol-1-yl)phenyl]propanoate

Drug info:

PubChemData

Smile

CN1C2=C(C=CN=C2)C(=O)N1C3=CN=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=CC(=C(C=C4F)NS(=O)(=O)C5=CC=CC=C5)F

DOS

IR

Vibrations