Geometry & MOs

Info

ID:

112493

PubChem CID:

50409405

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

708.20711

ΔHf, kcal/mol:

-248.86

Dipole, Da:

4.2

IP(EA), eV:

 -8.8(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-carbamoylanilino)-3-oxopropyl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations