Geometry & MOs

Info

ID:	60946
PubChem CID:	26703426
Reduced:	ClSN3O6C20H20 (1)
Stoich.:	ABC3D6E20F20 (1)
Weight, g/mol:	477.077676
ΔH_f, kcal/mol:	-121.37
Dipole, Da:	2.26
IP(EA), eV:	-9.01(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-6-[4-(4-nitrophenyl)sulfonylpiperazine-1-carbonyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations