Geometry & MOs

Info

ID:

116527

PubChem CID:

50564289

Reduced:

ClN5O5C32H40 (1)

Stoich.:

AB5C5D32E40 (1)

Weight, g/mol:

623.287447

ΔHf, kcal/mol:

-195.76

Dipole, Da:

10.13

IP(EA), eV:

 -9.04(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-methyl-4-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations