Geometry & MOs

Info

ID:

107309

PubChem CID:

50198354

Reduced:

FN5O6C36H42 (1)

Stoich.:

AB5C6D36E42 (1)

Weight, g/mol:

653.25767

ΔHf, kcal/mol:

-243.1

Dipole, Da:

8.35

IP(EA), eV:

 -8.84(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)OC)OC

DOS

IR

Vibrations