Geometry & MOs

Info

ID:

106365

PubChem CID:

50160159

Reduced:

ClO5N6C39H53 (1)

Stoich.:

AB5C6D39E53 (1)

Weight, g/mol:

664.394833

ΔHf, kcal/mol:

-226.18

Dipole, Da:

7.9

IP(EA), eV:

 -8.95(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCCC5)C

DOS

IR

Vibrations