Geometry & MOs

Info

ID:

105962

PubChem CID:

50144337

Reduced:

ClFO4N5C31H41 (1)

Stoich.:

ABC4D5E31F41 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-227.52

Dipole, Da:

4.11

IP(EA), eV:

 -9.09(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-5-(cyclohexanecarbonylamino)phenyl]-1-[2-[2-methyl-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations