Geometry & MOs

Info

ID:

105672

PubChem CID:

50135674

Reduced:

O5N6C38H52 (1)

Stoich.:

A5B6C38D52 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-221.83

Dipole, Da:

7.71

IP(EA), eV:

 -8.74(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-4-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(2-methylpropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)N5CCCC(C5)C)C

DOS

IR

Vibrations