Geometry & MOs

Info

ID:

90636

PubChem CID:

49970811

Reduced:

BrO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

632.368619

ΔHf, kcal/mol:

-179.34

Dipole, Da:

7.3

IP(EA), eV:

 -8.73(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C(=C4)C)C)Br

DOS

IR

Vibrations