Geometry & MOs

Info

ID:	147587
PubChem CID:	53787243
Reduced:	PSO5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	418.247642
ΔH_f, kcal/mol:	-268.63
Dipole, Da:	2.84
IP(EA), eV:	-9.31(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5,6,7-tetrabutyl-1,3-benzothiazole-4-carbothioamide

Drug info:

PubChemData

Smile

COC1CCCCC1OP(=O)(OC)OCC2=CSC=C2

DOS

IR

Vibrations