Geometry & MOs

Info

ID:	133680
PubChem CID:	51574156
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	454.076947
ΔH_f, kcal/mol:	48.86
Dipole, Da:	4.34
IP(EA), eV:	-9.82(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethylacetamide

Drug info:

PubChemData

Smile

CC[C@]1(C(=O)N(C(=O)N1)CC2=NN=NN2C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations