Geometry & MOs

Info

ID:

98313

PubChem CID:

50042548

Reduced:

ClFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-187.16

Dipole, Da:

10.05

IP(EA), eV:

 -8.75(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations