Geometry & MOs

Info

ID:

298360

PubChem CID:

117648668

Reduced:

FO2S2H21C29 (1)

Stoich.:

AB2C2D21E29 (1)

Weight, g/mol:

559.245564

ΔHf, kcal/mol:

-5.75

Dipole, Da:

1.74

IP(EA), eV:

 -8.92(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(1R,2S)-1-[[5-cyano-3-fluoro-6-[[6-methoxy-5-(triazol-1-yl)pyridin-3-yl]amino]pyridin-2-yl]amino]-1-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=CC=C(C=C1)C2=CC=C(C3=CC=CC=C32)C4=CC(=C(C=C4)SC(=O)C=C)F

DOS

IR

Vibrations