Geometry & MOs

Info

ID:

112471

PubChem CID:

50408371

Reduced:

ClO5N6C34H39 (1)

Stoich.:

AB5C6D34E39 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-182.13

Dipole, Da:

7.32

IP(EA), eV:

 -8.39(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations