Geometry & MOs

Info

ID:

103508

PubChem CID:

50071629

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-191.66

Dipole, Da:

9.51

IP(EA), eV:

 -8.76(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(4-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)C

DOS

IR

Vibrations