Geometry & MOs

Info

ID:

92454

PubChem CID:

49986420

Reduced:

N6O6C39H56 (1)

Stoich.:

A6B6C39D56 (1)

Weight, g/mol:

690.390497

ΔHf, kcal/mol:

-282.41

Dipole, Da:

3.73

IP(EA), eV:

 -8.61(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-3-oxopropyl]-1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations