Geometry & MOs

Info

ID:

113559

PubChem CID:

50450968

Reduced:

ClO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-131.13

Dipole, Da:

6.52

IP(EA), eV:

 -8.82(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations