Geometry & MOs

Info

ID:	360270
PubChem CID:	127300913
Reduced:	SO3N5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	-59.78
Dipole, Da:	13.39
IP(EA), eV:	-9.17(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzoyl-1,3-thiazolidin-4-yl)-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC=C(C=C3)N4CCCS4(=O)=O

DOS

IR

Vibrations