Geometry & MOs

Info

ID:

96658

PubChem CID:

50023251

Reduced:

FN5O6C34H38 (1)

Stoich.:

AB5C6D34E38 (1)

Weight, g/mol:

595.237702

ΔHf, kcal/mol:

-240.34

Dipole, Da:

5.16

IP(EA), eV:

 -8.44(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]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=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations