Geometry & MOs

Info

ID:

93704

PubChem CID:

49996225

Reduced:

BrFO4N5C34H43 (1)

Stoich.:

ABC4D5E34F43 (1)

Weight, g/mol:

647.368284

ΔHf, kcal/mol:

-211.75

Dipole, Da:

8.15

IP(EA), eV:

 -8.93(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-1-[1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)Br)F

DOS

IR

Vibrations