Geometry & MOs

Info

ID:	180455
PubChem CID:	76635221
Reduced:	ClNSO4H16C17 (1)
Stoich.:	ABCD4E16F17 (1)
Weight, g/mol:	428.065377
ΔH_f, kcal/mol:	-118.15
Dipole, Da:	2.66
IP(EA), eV:	-9.39(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-(trifluoromethyl)-2-(3,4,5-trimethoxybenzoyl)-3aH-thieno[2,3-b]pyridin-6-one

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(N2C(C(C2=O)Cl)SC1)C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations