Geometry & MOs

Info

ID:

90129

PubChem CID:

49966647

Reduced:

N6O6C41H50 (1)

Stoich.:

A6B6C41D50 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-212.83

Dipole, Da:

16.82

IP(EA), eV:

 -8.61(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetamido-4-chlorophenyl)-1-[1-[1-[2-methyl-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC(=C5)NC(=O)C6=CC(=CC=C6)OC

DOS

IR

Vibrations