Geometry & MOs

Info

ID:

92150

PubChem CID:

49983366

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

726.329646

ΔHf, kcal/mol:

-235.19

Dipole, Da:

9.65

IP(EA), eV:

 -8.75(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-[(2-methylbenzoyl)amino]phenyl]-1-[1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)C

DOS

IR

Vibrations