Geometry & MOs

Info

ID:

120481

PubChem CID:

50729532

Reduced:

ClN6O6C34H47 (1)

Stoich.:

AB6C6D34E47 (1)

Weight, g/mol:

684.340211

ΔHf, kcal/mol:

-259.21

Dipole, Da:

3.0

IP(EA), eV:

 -8.5(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations