Geometry & MOs

Info

ID:

112378

PubChem CID:

50404776

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

716.345296

ΔHf, kcal/mol:

-201.14

Dipole, Da:

8.78

IP(EA), eV:

 -8.58(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CC(=C4)C)C

DOS

IR

Vibrations