Geometry & MOs

Info

ID:

113434

PubChem CID:

50445599

Reduced:

FN6O6C44H51 (1)

Stoich.:

AB6C6D44E51 (1)

Weight, g/mol:

657.332648

ΔHf, kcal/mol:

-247.85

Dipole, Da:

7.08

IP(EA), eV:

 -8.1(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C)C

DOS

IR

Vibrations