Geometry & MOs

Info

ID:

120141

PubChem CID:

50715573

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

718.360946

ΔHf, kcal/mol:

-239.37

Dipole, Da:

6.27

IP(EA), eV:

 -8.78(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations