Geometry & MOs

Info

ID:

118533

PubChem CID:

50645920

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

682.360946

ΔHf, kcal/mol:

-230.76

Dipole, Da:

13.17

IP(EA), eV:

 -8.89(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NCC(C)C)Cl)C

DOS

IR

Vibrations