Geometry & MOs

Info

ID:

96334

PubChem CID:

50019843

Reduced:

BrClO4N5C30H39 (1)

Stoich.:

ABC4D5E30F39 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-169.92

Dipole, Da:

4.41

IP(EA), eV:

 -8.93(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)Br)Cl

DOS

IR

Vibrations