Geometry & MOs

Info

ID:

107673

PubChem CID:

50214458

Reduced:

N3O3C15H20 (2)

Stoich.:

A3B3C15D20 (2)

Weight, g/mol:

752.349775

ΔHf, kcal/mol:

-244.33

Dipole, Da:

6.46

IP(EA), eV:

 -8.56(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC)C)OC

DOS

IR

Vibrations