Geometry & MOs

Info

ID:

107668

PubChem CID:

50214185

Reduced:

F3N4O4C27H33 (1)

Stoich.:

A3B4C4D27E33 (1)

Weight, g/mol:

724.318475

ΔHf, kcal/mol:

-319.93

Dipole, Da:

4.72

IP(EA), eV:

 -8.83(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3OC(F)(F)F)C

DOS

IR

Vibrations