Geometry & MOs

Info

ID:

102906

PubChem CID:

50070191

Reduced:

ClO5N6C42H51 (1)

Stoich.:

AB5C6D42E51 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-190.17

Dipole, Da:

13.28

IP(EA), eV:

 -8.71(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations