Geometry & MOs

Info

ID:

96759

PubChem CID:

50024325

Reduced:

N3O3C19H24 (2)

Stoich.:

A3B3C19D24 (2)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-221.02

Dipole, Da:

4.48

IP(EA), eV:

 -8.84(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-oxopropyl]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)NCCC(=O)NC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations