Geometry & MOs

Info

ID:

94708

PubChem CID:

50003389

Reduced:

ClO5N6C39H49 (1)

Stoich.:

AB5C6D39E49 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-209.03

Dipole, Da:

9.41

IP(EA), eV:

 -8.32(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations