Geometry & MOs

Info

ID:

107648

PubChem CID:

50212703

Reduced:

ClO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

660.307161

ΔHf, kcal/mol:

-138.71

Dipole, Da:

5.94

IP(EA), eV:

 -8.61(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methoxyanilino)-3-oxopropyl]-1-[1-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations