Geometry & MOs

Info

ID:	186657
PubChem CID:	77464072
Reduced:	NSF2O3C13H17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	404.140593
ΔH_f, kcal/mol:	-208.89
Dipole, Da:	7.37
IP(EA), eV:	-8.8(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(3-hydroxy-1-phenylpropyl)amino]-6,6-dimethyl-4,4-dioxo-5H-1,4,3-oxathiazin-5-yl]phenol

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)NC(CC(=O)O)C1=C(C=C(C=C1)F)F

DOS

IR

Vibrations