Geometry & MOs

Info

ID:

104723

PubChem CID:

50104947

Reduced:

ClO5N6C29H37 (1)

Stoich.:

AB5C6D29E37 (1)

Weight, g/mol:

638.298346

ΔHf, kcal/mol:

-215.26

Dipole, Da:

13.24

IP(EA), eV:

 -8.81(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations