Geometry & MOs

Info

ID:

101755

PubChem CID:

50065027

Reduced:

F2O4N5C31H33 (1)

Stoich.:

A2B4C5D31E33 (1)

Weight, g/mol:

595.237702

ΔHf, kcal/mol:

-209.35

Dipole, Da:

8.63

IP(EA), eV:

 -9.08(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations