Geometry & MOs

Info

ID:

102607

PubChem CID:

50068659

Reduced:

F2O5N6C39H40 (1)

Stoich.:

A2B5C6D39E40 (1)

Weight, g/mol:

542.191166

ΔHf, kcal/mol:

-242.13

Dipole, Da:

10.42

IP(EA), eV:

 -8.8(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=CC=C5)F)C)F

DOS

IR

Vibrations