Geometry & MOs

Info

ID:	169986
PubChem CID:	75177102
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	443.133734
ΔH_f, kcal/mol:	-19.82
Dipole, Da:	3.97
IP(EA), eV:	-8.41(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C=NNC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations