Geometry & MOs

Info

ID:

107346

PubChem CID:

50199407

Reduced:

N3O3C17H24 (2)

Stoich.:

A3B3C17D24 (2)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-245.61

Dipole, Da:

8.61

IP(EA), eV:

 -8.84(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations