Geometry & MOs

Info

ID:	17547
PubChem CID:	504139
Reduced:	O3S3N4C15H22 (1)
Stoich.:	A3B3C4D15E22 (1)
Weight, g/mol:	402.085404
ΔH_f, kcal/mol:	-81.69
Dipole, Da:	6.08
IP(EA), eV:	-8.43(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-(4-methylpiperazine-1-carbothioyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC(=S)N2CCN(CC2)C

DOS

IR

Vibrations