Geometry & MOs

Info

ID:

94651

PubChem CID:

50003010

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-189.25

Dipole, Da:

6.72

IP(EA), eV:

 -8.91(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-chloro-2-(dimethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations