Geometry & MOs

Info

ID:	210674
PubChem CID:	80838918
Reduced:	ClSN5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	49.84
Dipole, Da:	3.35
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N,3-N-dimethyl-3-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-nitrobenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)N(C)CC2=C(N=CS2)C)Cl

DOS

IR

Vibrations