Geometry & MOs

Info

ID:

219525

PubChem CID:

85149098

Reduced:

N2O2C37H54 (1)

Stoich.:

A2B2C37D54 (1)

Weight, g/mol:

558.15645

ΔHf, kcal/mol:

-129.23

Dipole, Da:

10.34

IP(EA), eV:

 -8.7(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N'-(5-chloropyridin-2-yl)-N-[2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]-4-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]oxamide

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C(=O)NC4(CCCCCCC4)C5=CC=C(C=C5)C(C)(C)C)CNC6=CC(=O)CCC36C

DOS

IR

Vibrations