Geometry & MOs

Info

ID:

321424

PubChem CID:

126665997

Reduced:

OF2N3C15H15 (2)

Stoich.:

AB2C3D15E15 (2)

Weight, g/mol:

780.308088

ΔHf, kcal/mol:

-147.15

Dipole, Da:

8.26

IP(EA), eV:

 -9.5(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[(1S)-1-[[(R)-tert-butylsulfinyl]amino]-1-(3-cyanophenyl)-3-cyclopropylpropyl]-(2-fluorophenyl)carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC=C(C=C2)C(=O)N)C3(C=CC=CC3NC(=O)C4=CC(=NN4C5=CC=CC(=C5)CN)C(F)(F)F)F

DOS

IR

Vibrations