Geometry & MOs

Info

ID:

95120

PubChem CID:

50006486

Reduced:

ClO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

730.360946

ΔHf, kcal/mol:

-214.2

Dipole, Da:

8.31

IP(EA), eV:

 -8.71(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-chloro-5-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]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=C(C=CC(=C3)NC(=O)C4=CC=CC(=C4)C)Cl

DOS

IR

Vibrations