Geometry & MOs

Info

ID:	363358
PubChem CID:	127310892
Reduced:	SO2N4C13H16 (1)
Stoich.:	AB2C4D13E16 (1)
Weight, g/mol:	383.152829
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	4.62
IP(EA), eV:	-9.11(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N(C)C3CCOC3

DOS

IR

Vibrations