Geometry & MOs

Info

ID:

96406

PubChem CID:

50020638

Reduced:

BrO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-214.85

Dipole, Da:

3.09

IP(EA), eV:

 -8.88(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)Br

DOS

IR

Vibrations