Geometry & MOs

Info

ID:

115821

PubChem CID:

50534864

Reduced:

BrClO4N5C30H37 (1)

Stoich.:

ABC4D5E30F37 (1)

Weight, g/mol:

611.287447

ΔHf, kcal/mol:

-160.22

Dipole, Da:

6.14

IP(EA), eV:

 -8.99(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)Br)Cl

DOS

IR

Vibrations