Geometry & MOs

Info

ID:

102334

PubChem CID:

50066361

Reduced:

F2O3N4C30H32 (1)

Stoich.:

A2B3C4D30E32 (1)

Weight, g/mol:

538.216238

ΔHf, kcal/mol:

-171.36

Dipole, Da:

7.19

IP(EA), eV:

 -8.77(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)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)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations