Geometry & MOs

Info

ID:

92752

PubChem CID:

49989434

Reduced:

ClO5N6C36H47 (1)

Stoich.:

AB5C6D36E47 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-224.04

Dipole, Da:

11.57

IP(EA), eV:

 -8.96(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(3-methoxybenzoyl)amino]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations