Geometry & MOs

Info

ID:	174595
PubChem CID:	75791181
Reduced:	SN3O3C10H15 (1)
Stoich.:	AB3C3D10E15 (1)
Weight, g/mol:	391.21543
ΔH_f, kcal/mol:	-82.24
Dipole, Da:	1.87
IP(EA), eV:	-9.64(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-ethyl-5-(2-propylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-propan-2-yl-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCNC(=O)CSC1=NN=C(O1)C2CCCO2

DOS

IR

Vibrations