Geometry & MOs

Info

ID:

113539

PubChem CID:

50449810

Reduced:

FO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

665.258039

ΔHf, kcal/mol:

-239.64

Dipole, Da:

6.29

IP(EA), eV:

 -8.92(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(cyclohexanecarbonylamino)phenyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations