Geometry & MOs

Info

ID:

115224

PubChem CID:

50513894

Reduced:

ClN6O6C35H49 (1)

Stoich.:

AB6C6D35E49 (1)

Weight, g/mol:

642.293261

ΔHf, kcal/mol:

-276.25

Dipole, Da:

8.96

IP(EA), eV:

 -8.89(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methoxy-5-(methylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)OC)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC(C)C

DOS

IR

Vibrations