Geometry & MOs

Info

ID:

108396

PubChem CID:

50243491

Reduced:

FN5O6C35H42 (1)

Stoich.:

AB5C6D35E42 (1)

Weight, g/mol:

637.284652

ΔHf, kcal/mol:

-263.31

Dipole, Da:

10.69

IP(EA), eV:

 -8.59(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-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=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations