Geometry & MOs

Info

ID:

95174

PubChem CID:

50006781

Reduced:

FO5N6C41H53 (1)

Stoich.:

AB5C6D41E53 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-261.04

Dipole, Da:

3.65

IP(EA), eV:

 -8.87(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(diethylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)NC(=O)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations