Geometry & MOs

Info

ID:

99155

PubChem CID:

50048713

Reduced:

F2O4N5C37H37 (1)

Stoich.:

A2B4C5D37E37 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-193.62

Dipole, Da:

11.14

IP(EA), eV:

 -8.89(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-fluorophenyl)-1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)F

DOS

IR

Vibrations