Geometry & MOs

Info

ID:

116525

PubChem CID:

50564287

Reduced:

ClN5O5C31H40 (1)

Stoich.:

AB5C5D31E40 (1)

Weight, g/mol:

611.287447

ΔHf, kcal/mol:

-196.73

Dipole, Da:

8.41

IP(EA), eV:

 -9.16(-0.69)

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-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations