Geometry & MOs

Info

ID:

108397

PubChem CID:

50243492

Reduced:

FSO4N7C32H40 (1)

Stoich.:

ABC4D7E32F40 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-165.85

Dipole, Da:

9.95

IP(EA), eV:

 -8.61(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations