Geometry & MOs

Info

ID:	200284
PubChem CID:	79376363
Reduced:	OSBr2N2H12C13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	225.093583
ΔH_f, kcal/mol:	4.96
Dipole, Da:	6.21
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)NC2=C(C(=NS2)C)C(=O)C)Br

DOS

IR

Vibrations