Geometry & MOs

Info

ID:

95050

PubChem CID:

50006033

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

570.235746

ΔHf, kcal/mol:

-223.93

Dipole, Da:

13.54

IP(EA), eV:

 -8.76(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-chloro-2-(methylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations