Geometry & MOs

Info

ID:	195495
PubChem CID:	78694923
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	405.95711
ΔH_f, kcal/mol:	-118.14
Dipole, Da:	3.84
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

5-(1,3-benzothiazol-2-yl)-6-(5-bromothiophen-2-yl)hex-5-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N(C)C

DOS

IR

Vibrations