Geometry & MOs

Info

ID:	330912
PubChem CID:	127248319
Reduced:	SN3O3C23H23 (1)
Stoich.:	AB3C3D23E23 (1)
Weight, g/mol:	443.108582
ΔH_f, kcal/mol:	-37.37
Dipole, Da:	2.3
IP(EA), eV:	-8.1(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylthiadiazol-5-yl)-[3-[2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OCC(=C2)CN3CCC(C3)C4=C(SC5=C4C=CC=N5)C(=O)N

DOS

IR

Vibrations