Geometry & MOs

Info

ID:	444642
PubChem CID:	135263117
Reduced:	SN3O4C28H33 (1)
Stoich.:	AB3C4D28E33 (1)
Weight, g/mol:	395.01908
ΔH_f, kcal/mol:	-95.76
Dipole, Da:	4.77
IP(EA), eV:	-9.03(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-2-phenylmethoxyphenyl)-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)NC(=O)C3(CC3)C4=NC(=C(C=C4)N5CCS(=O)(=O)CC5)C)C

DOS

IR

Vibrations