Geometry & MOs

Info

ID:

321375

PubChem CID:

126665917

Reduced:

BrO3F4N4C29H31 (1)

Stoich.:

AB3C4D4E29F31 (1)

Weight, g/mol:

651.283253

ΔHf, kcal/mol:

-264.6

Dipole, Da:

6.43

IP(EA), eV:

 -9.6(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[5-(1-amino-3-cyclopropyl-1-phenylpropyl)-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-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(CCC4CC4)Br)F

DOS

IR

Vibrations