Geometry & MOs

Info

ID:

98732

PubChem CID:

50046038

Reduced:

FN3O3C20H25 (2)

Stoich.:

AB3C3D20E25 (2)

Weight, g/mol:

750.310803

ΔHf, kcal/mol:

-308.09

Dipole, Da:

6.04

IP(EA), eV:

 -8.55(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations