Geometry & MOs

Info

ID:	150982
PubChem CID:	53790679
Reduced:	PN4O5C21H33 (1)
Stoich.:	AB4C5D21E33 (1)
Weight, g/mol:	376.160935
ΔH_f, kcal/mol:	-144.44
Dipole, Da:	7.46
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzylpiperidin-4-ylidene)-1-(2-methyl-1,3-benzothiazol-6-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C(C)(C(C)NC(=NC(C)C(C)(OC)OC)NC#N)OP)C=O)OC

DOS

IR

Vibrations