Geometry & MOs

Info

ID:

96659

PubChem CID:

50023253

Reduced:

FSO4N7C29H34 (1)

Stoich.:

ABC4D7E29F34 (1)

Weight, g/mol:

623.269002

ΔHf, kcal/mol:

-146.79

Dipole, Da:

10.32

IP(EA), eV:

 -9.31(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=NN=C(S4)C

DOS

IR

Vibrations