Geometry & MOs

Info

ID:

101151

PubChem CID:

50064410

Reduced:

FN5O6C33H38 (1)

Stoich.:

AB5C6D33E38 (1)

Weight, g/mol:

609.253352

ΔHf, kcal/mol:

-240.5

Dipole, Da:

5.02

IP(EA), eV:

 -8.3(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations