Geometry & MOs

Info

ID:	299179
PubChem CID:	117674084
Reduced:	SN3O6C29H33 (1)
Stoich.:	AB3C6D29E33 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-197.79
Dipole, Da:	4.75
IP(EA), eV:	-8.82(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(4-amino-2,2-dihydroxy-1H-2lambda4,1,3-benzothiadiazin-5-yl)oxymethyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OCCCCCCNC[C@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O)C(C4=CSC=C4)NC(=O)O

DOS

IR

Vibrations