Geometry & MOs

Info

ID:	78827
PubChem CID:	49737755
Reduced:	S2O3N5C18H19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	459.049353
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	5.12
IP(EA), eV:	-8.49(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)CC2=CSC(=N2)NC3=CC=CC(=N3)C

DOS

IR

Vibrations