Geometry & MOs

Info

ID:

92863

PubChem CID:

49990208

Reduced:

ClO5N6C41H51 (1)

Stoich.:

AB5C6D41E51 (1)

Weight, g/mol:

734.415569

ΔHf, kcal/mol:

-201.46

Dipole, Da:

10.46

IP(EA), eV:

 -8.87(-0.44)

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-5-[(2-methylphenyl)carbamoyl]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)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations