Geometry & MOs

Info

ID:	54562
PubChem CID:	17388897
Reduced:	NO6C20H23 (1)
Stoich.:	AB6C20D23 (1)
Weight, g/mol:	424.102768
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	2.74
IP(EA), eV:	-8.68(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-anilino-4-oxo-1,3-thiazol-5-yl)-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CN2CCC3=CC=CC=C3C2.C(=O)(C(=O)O)O

DOS

IR

Vibrations