Geometry & MOs

Info

ID:

115495

PubChem CID:

50524747

Reduced:

ClO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-166.4

Dipole, Da:

7.24

IP(EA), eV:

 -8.66(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C

DOS

IR

Vibrations