Geometry & MOs

Info

ID:

92901

PubChem CID:

49990432

Reduced:

BrO4N5C34H44 (1)

Stoich.:

AB4C5D34E44 (1)

Weight, g/mol:

631.37337

ΔHf, kcal/mol:

-168.85

Dipole, Da:

7.16

IP(EA), eV:

 -8.88(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=C(C=C5)Br

DOS

IR

Vibrations