Geometry & MOs

Info

ID:

98908

PubChem CID:

50047243

Reduced:

FO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

738.390497

ΔHf, kcal/mol:

-241.85

Dipole, Da:

7.44

IP(EA), eV:

 -8.79(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-1-[1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=C(C=C5)C(=O)NCC(C)C)C

DOS

IR

Vibrations