Geometry & MOs

Info

ID:

94280

PubChem CID:

49999360

Reduced:

FO4N5C36H48 (1)

Stoich.:

AB4C5D36E48 (1)

Weight, g/mol:

760.407897

ΔHf, kcal/mol:

-232.68

Dipole, Da:

8.78

IP(EA), eV:

 -8.28(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)F)C

DOS

IR

Vibrations