Geometry & MOs

Info

ID:

98808

PubChem CID:

50046466

Reduced:

F3O4N5C30H30 (1)

Stoich.:

A3B4C5D30E30 (1)

Weight, g/mol:

599.21263

ΔHf, kcal/mol:

-246.52

Dipole, Da:

4.38

IP(EA), eV:

 -8.98(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]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)NCC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations