Geometry & MOs

Info

ID:

112091

PubChem CID:

50394322

Reduced:

BrN5O5C34H44 (1)

Stoich.:

AB5C5D34E44 (1)

Weight, g/mol:

635.331899

ΔHf, kcal/mol:

-209.61

Dipole, Da:

6.91

IP(EA), eV:

 -8.6(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,5-dimethoxyphenyl)-1-[1-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C)Br)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)N5CCOCC5

DOS

IR

Vibrations