Geometry & MOs

Info

ID:

321311

PubChem CID:

126665760

Reduced:

O2F4N6H26C31 (1)

Stoich.:

A2B4C6D26E31 (1)

Weight, g/mol:

638.251618

ΔHf, kcal/mol:

-124.32

Dipole, Da:

4.0

IP(EA), eV:

 -9.55(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-[cyclopropylmethoxy(phenyl)methyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC(=C(C=C2)F)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)C(=O)N)C(F)(F)F)(C5=CC=CC(=C5)C#N)N

DOS

IR

Vibrations