Geometry & MOs

Info

ID:

100072

PubChem CID:

50057970

Reduced:

F2N5O6C33H35 (1)

Stoich.:

A2B5C6D33E35 (1)

Weight, g/mol:

599.21263

ΔHf, kcal/mol:

-282.37

Dipole, Da:

8.73

IP(EA), eV:

 -8.4(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations