Geometry & MOs

Info

ID:

92885

PubChem CID:

49990303

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-187.35

Dipole, Da:

11.0

IP(EA), eV:

 -8.59(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Cl)C

DOS

IR

Vibrations