Geometry & MOs

Info

ID:	133907
PubChem CID:	51612529
Reduced:	SO2N6C21H34 (1)
Stoich.:	AB2C6D21E34 (1)
Weight, g/mol:	388.139154
ΔH_f, kcal/mol:	-49.6
Dipole, Da:	4.29
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclohexyl-N-ethyl-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NN=C(N2C3CC3)S[C@@H](C)C(=O)NC(=O)NC4CCCCC4

DOS

IR

Vibrations