Geometry & MOs

Info

ID:	263379
PubChem CID:	103360768
Reduced:	ClO2N3S3C11H14 (1)
Stoich.:	AB2C3D3E11F14 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	4.79
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-(cyclopropylmethyl)-5-N-propyl-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(SN=C1N)N(C)CC2=CC=C(S2)Cl

DOS

IR

Vibrations