Geometry & MOs

Info

ID:	141008
PubChem CID:	52799740
Reduced:	O4N5C24H33 (1)
Stoich.:	A4B5C24D33 (1)
Weight, g/mol:	374.108899
ΔH_f, kcal/mol:	-146.66
Dipole, Da:	3.12
IP(EA), eV:	-9.25(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(E)-(7-oxo-2-phenyl-4,5-dihydro-1,3-benzothiazol-6-ylidene)methyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3

DOS

IR

Vibrations