Geometry & MOs

Info

ID:

90677

PubChem CID:

49971276

Reduced:

O4N5C32H43 (1)

Stoich.:

A4B5C32D43 (1)

Weight, g/mol:

641.337733

ΔHf, kcal/mol:

-155.88

Dipole, Da:

5.84

IP(EA), eV:

 -9.16(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3-fluorophenyl)carbamoyl]-6-methylphenyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations