Geometry & MOs

Info

ID:

109983

PubChem CID:

50304066

Reduced:

ClO5N6C37H51 (1)

Stoich.:

AB5C6D37E51 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-231.29

Dipole, Da:

4.98

IP(EA), eV:

 -8.77(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(4-methylpiperidine-1-carbonyl)phenyl]-1-[1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl)C(=O)NC(C)C

DOS

IR

Vibrations