Geometry & MOs

Info

ID:

94833

PubChem CID:

50004150

Reduced:

ClO5N6C33H45 (1)

Stoich.:

AB5C6D33E45 (1)

Weight, g/mol:

652.313996

ΔHf, kcal/mol:

-231.33

Dipole, Da:

4.33

IP(EA), eV:

 -8.96(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC(C)CC)C)Cl

DOS

IR

Vibrations