Geometry & MOs

Info

ID:	78800
PubChem CID:	49732003
Reduced:	SN2O5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	484.166808
ΔH_f, kcal/mol:	-120.88
Dipole, Da:	5.95
IP(EA), eV:	-8.56(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC(=N2)OC3CCN(CC3)C(=O)/C=C/C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations