Geometry & MOs

Info

ID:	172820
PubChem CID:	75556733
Reduced:	SO2N3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	336.071468
ΔH_f, kcal/mol:	55.09
Dipole, Da:	4.64
IP(EA), eV:	-9.2(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-morpholin-4-yl-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=C2C(=O)N3C(=NC(=N3)CC4=CC=CC=C4)S2

DOS

IR

Vibrations