Geometry & MOs

Info

ID:

111907

PubChem CID:

50386190

Reduced:

FO5N6C40H47 (1)

Stoich.:

AB5C6D40E47 (1)

Weight, g/mol:

674.379183

ΔHf, kcal/mol:

-221.39

Dipole, Da:

11.19

IP(EA), eV:

 -9.03(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-methoxy-4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F)C(=O)NC6CCCC6

DOS

IR

Vibrations