Geometry & MOs

Info

ID:

108575

PubChem CID:

50250498

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-173.04

Dipole, Da:

6.76

IP(EA), eV:

 -8.7(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(dimethylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)Cl)C(=O)N

DOS

IR

Vibrations