Geometry & MOs

Info

ID:	42821
PubChem CID:	8150056
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	368.076553
ΔH_f, kcal/mol:	-60.84
Dipole, Da:	3.11
IP(EA), eV:	-8.24(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[(2-methyl-1,3-benzothiazol-6-yl)amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CN(CCC1=CC(=C(C=C1)OC)OC)CC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations