Geometry & MOs

Info

ID:

116131

PubChem CID:

50549060

Reduced:

ClO5N6C34H45 (1)

Stoich.:

AB5C6D34E45 (1)

Weight, g/mol:

582.235746

ΔHf, kcal/mol:

-213.95

Dipole, Da:

8.5

IP(EA), eV:

 -8.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC(C4)C

DOS

IR

Vibrations