Geometry & MOs

Info

ID:

109719

PubChem CID:

50295038

Reduced:

F2O5N6C43H46 (1)

Stoich.:

A2B5C6D43E46 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-246.57

Dipole, Da:

9.12

IP(EA), eV:

 -8.52(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)NC(=O)CC6=CC=C(C=C6)F)F)C

DOS

IR

Vibrations