Geometry & MOs

Info

ID:

97967

PubChem CID:

50037394

Reduced:

ClF2N5O5C34H36 (1)

Stoich.:

AB2C5D5E34F36 (1)

Weight, g/mol:

627.24393

ΔHf, kcal/mol:

-248.46

Dipole, Da:

7.97

IP(EA), eV:

 -9.02(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations