Geometry & MOs

Info

ID:	299176
PubChem CID:	117673916
Reduced:	N4O4H22C23 (1)
Stoich.:	A4B4C22D23 (1)
Weight, g/mol:	417.147075
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	4.44
IP(EA), eV:	-8.76(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)N(CCO)C2=CC3=C(C=C2)N=CN(C3=O)C4=CN=CC=C4)OC

DOS

IR

Vibrations