Geometry & MOs

Info

ID:

116524

PubChem CID:

50564286

Reduced:

ClN5O5C30H38 (1)

Stoich.:

AB5C5D30E38 (1)

Weight, g/mol:

597.271797

ΔHf, kcal/mol:

-190.16

Dipole, Da:

7.39

IP(EA), eV:

 -8.76(-0.49)

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-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations