Geometry & MOs

Info

ID:

117869

PubChem CID:

50618600

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-210.95

Dipole, Da:

4.29

IP(EA), eV:

 -9.15(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-carbamoyl-2-chloroanilino)-1-oxopropan-2-yl]-N-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N)Cl)C

DOS

IR

Vibrations