Geometry & MOs

Info

ID:

321280

PubChem CID:

126665653

Reduced:

O3F4N5C35H37 (1)

Stoich.:

A3B4C5D35E37 (1)

Weight, g/mol:

643.205396

ΔHf, kcal/mol:

-234.88

Dipole, Da:

4.99

IP(EA), eV:

 -9.15(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[5-[[2-fluoro-5-[hydroxy-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylcarbamic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CNC(=O)OC(C)(C)C)C(F)(F)F)NCC5CC5

DOS

IR

Vibrations