Geometry & MOs

Info

ID:	268081
PubChem CID:	103597738
Reduced:	SO2N7C17H19 (1)
Stoich.:	AB2C7D17E19 (1)
Weight, g/mol:	393.151098
ΔH_f, kcal/mol:	72.44
Dipole, Da:	6.98
IP(EA), eV:	-9.4(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=NN=C(S1)NC(=O)C(=CC2=CC(=CC=C2)OC)N3C(=NN=N3)C

DOS

IR

Vibrations