Geometry & MOs

Info

ID:	89928
PubChem CID:	49965410
Reduced:	ClS2N3O4H14C17 (1)
Stoich.:	AB2C3D4E14F17 (1)
Weight, g/mol:	476.98316
ΔH_f, kcal/mol:	-120.39
Dipole, Da:	5.35
IP(EA), eV:	-9.0(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]sulfanyl-5-hydroxy-7-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C(=O)N

DOS

IR

Vibrations