Geometry & MOs

Info

ID:

107131

PubChem CID:

50191029

Reduced:

F2O4N5C34H39 (1)

Stoich.:

A2B4C5D34E39 (1)

Weight, g/mol:

671.271939

ΔHf, kcal/mol:

-222.32

Dipole, Da:

3.08

IP(EA), eV:

 -8.76(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=C(C=CC(=C4)F)F)C

DOS

IR

Vibrations