Geometry & MOs

Info

ID:

115212

PubChem CID:

50513532

Reduced:

ClN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

670.324561

ΔHf, kcal/mol:

-237.45

Dipole, Da:

2.03

IP(EA), eV:

 -8.32(-0.71)

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-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC(C)C)OC

DOS

IR

Vibrations