Geometry & MOs

Info

ID:

298319

PubChem CID:

117648315

Reduced:

FS2O4H15C20 (1)

Stoich.:

AB2C4D15E20 (1)

Weight, g/mol:

588.297265

ΔHf, kcal/mol:

-120.12

Dipole, Da:

5.46

IP(EA), eV:

 -9.2(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-cyano-6-[[3-(dimethylamino)-1-methylindazol-5-yl]amino]-3-fluoropyridin-2-yl]amino]-1-(4-methoxyphenyl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)SC(=O)C=C)F

DOS

IR

Vibrations