Geometry & MOs

Info

ID:

120501

PubChem CID:

50730578

Reduced:

BrClO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

660.282696

ΔHf, kcal/mol:

-122.87

Dipole, Da:

11.05

IP(EA), eV:

 -8.76(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[1-[3-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=CC=C4)Cl)Br

DOS

IR

Vibrations