Geometry & MOs

Info

ID:

96792

PubChem CID:

50024523

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-258.65

Dipole, Da:

2.52

IP(EA), eV:

 -8.65(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]-1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N(CC)CC)C)OC

DOS

IR

Vibrations