Geometry & MOs

Info

ID:	31757
PubChem CID:	3715869
Reduced:	N3O6C27H29 (1)
Stoich.:	A3B6C27D29 (1)
Weight, g/mol:	392.122835
ΔH_f, kcal/mol:	-160.4
Dipole, Da:	7.6
IP(EA), eV:	-8.76(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-(2-methylpropyl)-1,3-thiazinan-4-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3(C1=O)C(=C(C4=CC5=C(C=C4)OCCO5)O)C(=O)C(=O)N3CCCN(C)C

DOS

IR

Vibrations