Geometry & MOs

Info

ID:

105349

PubChem CID:

50106974

Reduced:

ClO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

570.235746

ΔHf, kcal/mol:

-192.7

Dipole, Da:

10.5

IP(EA), eV:

 -8.81(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-carbamoyl-2-chloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)N)C)Cl

DOS

IR

Vibrations