Geometry & MOs

Info

ID:	43469
PubChem CID:	10321344
Reduced:	N2O5C26H26 (1)
Stoich.:	A2B5C26D26 (1)
Weight, g/mol:	446.071862
ΔH_f, kcal/mol:	-150.18
Dipole, Da:	7.64
IP(EA), eV:	-9.09(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(benzenesulfonyl)triazol-1-yl]methyl]-1,1-dioxo-4-propan-2-yl-1,2-benzothiazol-3-one

Drug info:

PubChemData

Smile

CCC1(C(N(C1=O)C(=O)NCC2=CC3=CC=CC=C3C=C2)OC4=CC=C(C=C4)C(=O)O)CC

DOS

IR

Vibrations