Geometry & MOs

Info

ID:	366076
PubChem CID:	127319407
Reduced:	S2N3O3C15H23 (1)
Stoich.:	A2B3C3D15E23 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	-97.31
Dipole, Da:	3.02
IP(EA), eV:	-8.42(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-tert-butyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N2CCSCC2)NS(=O)(=O)N3CCOCC3

DOS

IR

Vibrations