Geometry & MOs

Info

ID:	361651
PubChem CID:	127303983
Reduced:	OSN4C21H26 (1)
Stoich.:	ABC4D21E26 (1)
Weight, g/mol:	389.188546
ΔH_f, kcal/mol:	30.43
Dipole, Da:	5.16
IP(EA), eV:	-8.49(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCC(CC3)C4=NN=CN4C5CC5

DOS

IR

Vibrations