Geometry & MOs

Info

ID:

177126

PubChem CID:

76137057

Reduced:

N2O4C9H18 (1)

Stoich.:

A2B4C9D18 (1)

Weight, g/mol:

772.184132

ΔHf, kcal/mol:

-203.41

Dipole, Da:

5.26

IP(EA), eV:

 -9.71(0.17)

Spin(Sz, 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;5-(3,4-dimethyl-2,6-dioxo-1,3-diazinan-1-yl)-1,2-benzothiazole-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(CC(CC(C)(C(=O)O)N)N)C(=O)O

DOS

IR

Vibrations