Geometry & MOs

Info

ID:	178177
PubChem CID:	76290370
Reduced:	NO3C23H27 (1)
Stoich.:	AB3C23D27 (1)
Weight, g/mol:	408.150764
ΔH_f, kcal/mol:	-72.13
Dipole, Da:	6.05
IP(EA), eV:	-8.85(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C=CC(=O)N(CC2CCCO2)CC3=CC=CC=C3OC

DOS

IR

Vibrations