Geometry & MOs

Info

ID:

108676

PubChem CID:

50254042

Reduced:

BrFO4N5C34H39 (1)

Stoich.:

ABC4D5E34F39 (1)

Weight, g/mol:

712.374847

ΔHf, kcal/mol:

-192.55

Dipole, Da:

9.88

IP(EA), eV:

 -8.67(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]-1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)Br)C)C

DOS

IR

Vibrations