Geometry & MOs

Info

ID:

98469

PubChem CID:

50044397

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

732.34469

ΔHf, kcal/mol:

-312.51

Dipole, Da:

8.53

IP(EA), eV:

 -8.22(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclohexanecarbonylamino)-4-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)F)C)OC

DOS

IR

Vibrations