Geometry & MOs

Info

ID:

93316

PubChem CID:

49993156

Reduced:

FO5N6C41H55 (1)

Stoich.:

AB5C6D41E55 (1)

Weight, g/mol:

754.360946

ΔHf, kcal/mol:

-274.49

Dipole, Da:

5.38

IP(EA), eV:

 -8.59(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-[(3-methylbenzoyl)amino]phenyl]-1-[1-[1-[5-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]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=CC(=C(C=C5)F)NC(=O)C6CCCCC6

DOS

IR

Vibrations