Geometry & MOs

Info

ID:

113796

PubChem CID:

50458793

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

649.306433

ΔHf, kcal/mol:

-268.67

Dipole, Da:

15.66

IP(EA), eV:

 -8.86(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[1-[2-methyl-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC4=C(C=C(C=C4)F)F)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations