Geometry & MOs

Info

ID:

118357

PubChem CID:

50639321

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

595.292532

ΔHf, kcal/mol:

-201.18

Dipole, Da:

7.68

IP(EA), eV:

 -8.99(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3)C(=O)N(C)C

DOS

IR

Vibrations