Geometry & MOs

Info

ID:

326773

PubChem CID:

126688180

Reduced:

OF5N5H22C29 (1)

Stoich.:

AB5C5D22E29 (1)

Weight, g/mol:

647.308325

ΔHf, kcal/mol:

-122.02

Dipole, Da:

6.39

IP(EA), eV:

 -9.32(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[[3-[5-[[3-[(cyclopropylmethylamino)-(2,4-dimethylphenyl)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)C#N)C(F)(F)F)C5=C(C=C(C=C5)F)F

DOS

IR

Vibrations