Geometry & MOs

Info

ID:

112786

PubChem CID:

50419716

Reduced:

N6O6C41H54 (1)

Stoich.:

A6B6C41D54 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-237.66

Dipole, Da:

6.77

IP(EA), eV:

 -8.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(cyclohexanecarbonylamino)anilino]-2-oxoethyl]-1-[2-[3-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations