Geometry & MOs

Info

ID:

321251

PubChem CID:

126665599

Reduced:

OF5N5H26C29 (1)

Stoich.:

AB5C5D26E29 (1)

Weight, g/mol:

584.204668

ΔHf, kcal/mol:

-157.95

Dipole, Da:

2.23

IP(EA), eV:

 -9.21(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[fluoro-[3-[hydroxy(phenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CNC(C2=CC(=CC=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C(F)(F)F)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations