Geometry & MOs

Info

ID:

108190

PubChem CID:

50234545

Reduced:

FN6O6C40H43 (1)

Stoich.:

AB6C6D40E43 (1)

Weight, g/mol:

599.21263

ΔHf, kcal/mol:

-238.75

Dipole, Da:

8.59

IP(EA), eV:

 -8.27(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)OC)C

DOS

IR

Vibrations