Geometry & MOs

Info

ID:	364109
PubChem CID:	127314055
Reduced:	SN2O2C8H9 (2)
Stoich.:	AB2C2D8E9 (2)
Weight, g/mol:	394.076947
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	1.9
IP(EA), eV:	-10.05(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylsulfonyl)phenyl]-1,2-thiazolidine 1,1-dioxide

Drug info:

PubChemData

Smile

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCC4=CN=CN=C4C3

DOS

IR

Vibrations