Geometry & MOs

Info

ID:	26470
PubChem CID:	649514
Reduced:	S2N4O5C19H20 (1)
Stoich.:	A2B4C5D19E20 (1)
Weight, g/mol:	337.084475
ΔH_f, kcal/mol:	-88.33
Dipole, Da:	4.51
IP(EA), eV:	-9.54(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-amino-1-(benzenesulfonyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NCC4=CC=CO4

DOS

IR

Vibrations