Geometry & MOs

Info

ID:

93016

PubChem CID:

49991010

Reduced:

O4N5C36H49 (1)

Stoich.:

A4B5C36D49 (1)

Weight, g/mol:

645.312661

ΔHf, kcal/mol:

-181.93

Dipole, Da:

6.77

IP(EA), eV:

 -9.0(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[(2,4-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCCC5)C

DOS

IR

Vibrations