Geometry & MOs

Info

ID:

114172

PubChem CID:

50473413

Reduced:

N5O5C36H45 (1)

Stoich.:

A5B5C36D45 (1)

Weight, g/mol:

653.35772

ΔHf, kcal/mol:

-186.07

Dipole, Da:

2.57

IP(EA), eV:

 -8.22(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C)OC

DOS

IR

Vibrations