Geometry & MOs

Info

ID:

92156

PubChem CID:

49983519

Reduced:

ClO5N6C39H51 (1)

Stoich.:

AB5C6D39E51 (1)

Weight, g/mol:

692.345296

ΔHf, kcal/mol:

-228.24

Dipole, Da:

6.22

IP(EA), eV:

 -9.14(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-3-chlorophenyl]-1-[1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)C(=O)NC6CCCCC6)Cl

DOS

IR

Vibrations