Geometry & MOs

Info

ID:	410474
PubChem CID:	135083272
Reduced:	N2S2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	263.043856
ΔH_f, kcal/mol:	34.92
Dipole, Da:	3.11
IP(EA), eV:	-8.24(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(4-benzyl-2-methyl-1,3-thiazol-5-yl) ethanethioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=C(S2)N3CCCCC3)S

DOS

IR

Vibrations