Geometry & MOs

Info

ID:

327080

PubChem CID:

126688967

Reduced:

O2N4F5H15C25 (1)

Stoich.:

A2B4C5D15E25 (1)

Weight, g/mol:

655.258181

ΔHf, kcal/mol:

-181.84

Dipole, Da:

2.71

IP(EA), eV:

 -9.38(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(2,5-difluorophenyl)methyl]phenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(C4=C(C=CC(=C4)F)F)O)C#N

DOS

IR

Vibrations