Geometry & MOs

Info

ID:

103566

PubChem CID:

50071786

Reduced:

FN4O4C30H33 (1)

Stoich.:

AB4C4D30E33 (1)

Weight, g/mol:

538.216238

ΔHf, kcal/mol:

-159.88

Dipole, Da:

11.24

IP(EA), eV:

 -8.51(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[2-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4OC)F

DOS

IR

Vibrations