Geometry & MOs

Info

ID:

114685

PubChem CID:

50492405

Reduced:

ClO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-192.05

Dipole, Da:

4.79

IP(EA), eV:

 -8.69(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C)C

DOS

IR

Vibrations