Geometry & MOs

Info

ID:

97231

PubChem CID:

50028738

Reduced:

F2N5O5H35C36 (1)

Stoich.:

A2B5C5D35E36 (1)

Weight, g/mol:

585.19698

ΔHf, kcal/mol:

-211.12

Dipole, Da:

11.64

IP(EA), eV:

 -8.82(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-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)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations