Geometry & MOs

Info

ID:

104069

PubChem CID:

50087167

Reduced:

ClO5N6C41H43 (1)

Stoich.:

AB5C6D41E43 (1)

Weight, g/mol:

700.337319

ΔHf, kcal/mol:

-146.44

Dipole, Da:

6.96

IP(EA), eV:

 -8.7(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamidophenyl)-1-[1-[2-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations