Geometry & MOs

Info

ID:

118447

PubChem CID:

50643471

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

626.298346

ΔHf, kcal/mol:

-211.43

Dipole, Da:

4.47

IP(EA), eV:

 -9.07(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methyl-6-(propan-2-ylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC=C3C(=O)N(C)C)C

DOS

IR

Vibrations