Geometry & MOs

Info

ID:

119595

PubChem CID:

50692342

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

758.355861

ΔHf, kcal/mol:

-236.89

Dipole, Da:

6.59

IP(EA), eV:

 -8.92(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[4-methoxy-3-[(3-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations