Geometry & MOs

Info

ID:	190165
PubChem CID:	77960450
Reduced:	ClNO4C28H32 (1)
Stoich.:	ABC4D28E32 (1)
Weight, g/mol:	483.134957
ΔH_f, kcal/mol:	-143.09
Dipole, Da:	5.79
IP(EA), eV:	-9.39(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-difluorophenyl)-3-ethyl-6-(4-methylphenyl)sulfonyl-1,3,4,4a,5,7,8,8a-octahydrobenzo[c]thiazine 2,2-dioxide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC=CC=C2COCC(CNC(C)(C)CC3=CC(=CC=C3)Cl)O)C(=O)O

DOS

IR

Vibrations