Geometry & MOs

Info

ID:

119178

PubChem CID:

50672746

Reduced:

ClN5O5C35H46 (1)

Stoich.:

AB5C5D35E46 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-213.74

Dipole, Da:

6.36

IP(EA), eV:

 -8.13(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(4-ethylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCC(CC5)C)Cl

DOS

IR

Vibrations