Geometry & MOs

Info

ID:

120368

PubChem CID:

50724479

Reduced:

ClN6O6C36H51 (1)

Stoich.:

AB6C6D36E51 (1)

Weight, g/mol:

712.371511

ΔHf, kcal/mol:

-270.44

Dipole, Da:

8.19

IP(EA), eV:

 -8.88(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(diethylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(2-methylpropylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations