Geometry & MOs

Info

ID:

116536

PubChem CID:

50564687

Reduced:

Cl2N5O5C30H37 (1)

Stoich.:

A2B5C5D30E37 (1)

Weight, g/mol:

635.231075

ΔHf, kcal/mol:

-200.44

Dipole, Da:

6.86

IP(EA), eV:

 -9.08(-0.61)

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-[4-[(4-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations