Geometry & MOs

Info

ID:

108110

PubChem CID:

50230151

Reduced:

ClO3F4N4H29C30 (1)

Stoich.:

AB3C4D4E29F30 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-285.49

Dipole, Da:

3.46

IP(EA), eV:

 -9.06(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclohexylcarbamoyl)phenyl]-1-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations