Geometry & MOs

Info

ID:

98930

PubChem CID:

50047455

Reduced:

F4O4N5C32H33 (1)

Stoich.:

A4B4C5D32E33 (1)

Weight, g/mol:

595.237702

ΔHf, kcal/mol:

-331.12

Dipole, Da:

11.69

IP(EA), eV:

 -8.93(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations