Geometry & MOs

Info

ID:

434793

PubChem CID:

135175714

Reduced:

ClF2O2N3C27H34 (1)

Stoich.:

AB2C2D3E27F34 (1)

Weight, g/mol:

737.30432

ΔHf, kcal/mol:

-154.48

Dipole, Da:

4.57

IP(EA), eV:

 -9.36(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[3-[4-(4-chlorophenyl)phenyl]-2-[[2-[4-(cyclohexylmethoxy)phenyl]-2-oxoacetyl]amino]-3,3-difluoropropanoyl]piperidin-4-yl]carbamate

Drug info:

PubChemData

Smile

C1CCC(CC1)CONC(C(=O)N2CCC(CC2)N)C(C3=CC=C(C=C3)C4=CC=C(C=C4)Cl)(F)F

DOS

IR

Vibrations