Geometry & MOs

Info

ID:

315976

PubChem CID:

126629527

Reduced:

O2N3H43C73 (1)

Stoich.:

A2B3C43D73 (1)

Weight, g/mol:

348.107854

ΔHf, kcal/mol:

285.23

Dipole, Da:

3.94

IP(EA), eV:

 -7.77(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-N-(2-nitrosophenyl)sulfanyl-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC=CC5=C4OC6=CC=CC=C56)C7=C2C8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=C1C1=C(C=C2)C2=C(N1C1=CC=CC=C1)C=CC(=C2)N1C2=CC=CC=C2OC2=CC=CC=C21

DOS

IR

Vibrations