Geometry & MOs

Info

ID:	361614
PubChem CID:	127303880
Reduced:	SO3N5C15H25 (1)
Stoich.:	AB3C5D15E25 (1)
Weight, g/mol:	383.177982
ΔH_f, kcal/mol:	-103.42
Dipole, Da:	5.61
IP(EA), eV:	-9.49(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethylthieno[2,3-b]pyridin-2-yl)-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=NN=C1C2CCCN(C2)C(=O)CN3CCCS3(=O)=O

DOS

IR

Vibrations