Geometry & MOs

Info

ID:

110603

PubChem CID:

50332424

Reduced:

O4N5C36H43 (1)

Stoich.:

A4B5C36D43 (1)

Weight, g/mol:

595.315855

ΔHf, kcal/mol:

-138.06

Dipole, Da:

8.39

IP(EA), eV:

 -8.72(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-methylphenyl)-1-[1-[2-methyl-3-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCCC5)C

DOS

IR

Vibrations