Geometry & MOs

Info

ID:	176011
PubChem CID:	75981443
Reduced:	SN2O3H20C25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	447.114044
ΔH_f, kcal/mol:	-28.32
Dipole, Da:	2.67
IP(EA), eV:	-9.16(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1,3-benzothiazol-2-yl)phenyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OC3=CC=CC=C3C4=NC5=CC=CC=C5S4

DOS

IR

Vibrations