Geometry & MOs

Info

ID:

111684

PubChem CID:

50377741

Reduced:

ClO4N5C32H42 (1)

Stoich.:

AB4C5D32E42 (1)

Weight, g/mol:

635.323833

ΔHf, kcal/mol:

-175.49

Dipole, Da:

7.79

IP(EA), eV:

 -9.02(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(3-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations