Geometry & MOs

Info

ID:	177127
PubChem CID:	76137058
Reduced:	S4N6O7C34H40 (1)
Stoich.:	A4B6C7D34E40 (1)
Weight, g/mol:	469.11637
ΔH_f, kcal/mol:	-201.89
Dipole, Da:	15.21
IP(EA), eV:	-8.61(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[bis(3-hydroxypropylsulfanyl)methyl]-1,2-benzothiazol-5-yl]-1,6-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CC(=O)N(C(=O)N1C)C2=CC3=C(C=C2)SN=C3C=O.CC1CC(=O)N(C(=O)N1C)C2=CC3=C(C=C2)SN=C3C(SCCCO)SCCCO

DOS

IR

Vibrations