Geometry & MOs

Info

ID:	67433
PubChem CID:	46506471
Reduced:	ClFSN2O7C22H22 (1)
Stoich.:	ABCD2E7F22G22 (1)
Weight, g/mol:	485.119147
ΔH_f, kcal/mol:	-291.27
Dipole, Da:	4.63
IP(EA), eV:	-8.38(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(4-nitrophenyl)piperazine-1-carbonyl]piperidin-1-yl]thieno[3,2-d][1,3]thiazin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)OC)OC)CS(=O)(=O)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations