Geometry & MOs

Info

ID:

100485

PubChem CID:

50061746

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

609.253352

ΔHf, kcal/mol:

-220.64

Dipole, Da:

8.73

IP(EA), eV:

 -8.7(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations