Geometry & MOs

Info

ID:

321284

PubChem CID:

126665667

Reduced:

F4O4N5C35H37 (1)

Stoich.:

A4B4C5D35E37 (1)

Weight, g/mol:

755.326517

ΔHf, kcal/mol:

-259.44

Dipole, Da:

6.01

IP(EA), eV:

 -8.75(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[1-[[(R)-tert-butylsulfinyl]amino]-1-(4-carbamoylphenyl)-3-cyclopropylpropyl]-2-fluorophenyl]carbamoyl]-3-cyanopyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC(=CC=C4)OC)N(C)C5CC5)F

DOS

IR

Vibrations