Geometry & MOs

Info

ID:	217458
PubChem CID:	85087855
Reduced:	SO7C17H18 (1)
Stoich.:	AB7C17D18 (1)
Weight, g/mol:	370.121195
ΔH_f, kcal/mol:	-267.89
Dipole, Da:	2.61
IP(EA), eV:	-8.92(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-benzothiazol-6-ylamino)-6-[(3-hydroxyphenyl)methylamino]-1,3,5-triazinan-2-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2C(C(C3=C(C=C(C=C3O2)O)O)SCCO)O)O)O

DOS

IR

Vibrations