Geometry & MOs

Info

ID:	449915
PubChem CID:	135302496
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	510.172562
ΔH_f, kcal/mol:	-121.44
Dipole, Da:	1.54
IP(EA), eV:	-8.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(6-methoxy-1,3-benzothiazol-2-yl)phenyl]-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CNC(=O)/C=C/C2=CC(=CC=C2)OCCNC(=O)C=C)OC

DOS

IR

Vibrations