Geometry & MOs

Info

ID:	444842
PubChem CID:	135263708
Reduced:	BrSN2O5C38H39 (1)
Stoich.:	ABC2D5E38F39 (1)
Weight, g/mol:	288.033541
ΔH_f, kcal/mol:	-106.54
Dipole, Da:	6.55
IP(EA), eV:	-8.36(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-morpholin-4-ylthieno[3,2-b]pyran-7-one;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)CCOC2=CC=C(C=C2)OC3=C(SC4=C3C=CC(=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)Br

DOS

IR

Vibrations