Geometry & MOs

Info

ID:	138498
PubChem CID:	52375046
Reduced:	ClSN3O3C15H20 (1)
Stoich.:	ABC3D3E15F20 (1)
Weight, g/mol:	348.071468
ΔH_f, kcal/mol:	-69.66
Dipole, Da:	4.95
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(CCN(C)C)S(=O)(=O)C2=CN=C(C=C2)Cl

DOS

IR

Vibrations