Geometry & MOs

Info

ID:	352639
PubChem CID:	127283728
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-108.62
Dipole, Da:	6.64
IP(EA), eV:	-9.3(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclobutanecarbonyl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C2=CC=CC=C2C1)N(C3CC3)C(=O)C4CCC5(CC4)C(=O)NC(=O)N5

DOS

IR

Vibrations