Geometry & MOs

Info

ID:

93608

PubChem CID:

49995656

Reduced:

FO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-225.13

Dipole, Da:

10.48

IP(EA), eV:

 -8.86(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(dimethylcarbamoyl)phenyl]-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)F)C

DOS

IR

Vibrations