Geometry & MOs

Info

ID:

101635

PubChem CID:

50064906

Reduced:

FO5N6C38H39 (1)

Stoich.:

AB5C6D38E39 (1)

Weight, g/mol:

621.256289

ΔHf, kcal/mol:

-181.93

Dipole, Da:

8.96

IP(EA), eV:

 -8.82(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-(4-fluorophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations