Geometry & MOs

Info

ID:	361601
PubChem CID:	127303867
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	381.137179
ΔH_f, kcal/mol:	-35.24
Dipole, Da:	7.46
IP(EA), eV:	-9.0(-0.05)
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-pyrazin-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCCC(C2)C3=NN=CN3C4CC4

DOS

IR

Vibrations