Geometry & MOs

Info

ID:	426294
PubChem CID:	135143199
Reduced:	SN2O3C9H12 (1)
Stoich.:	AB2C3D9E12 (1)
Weight, g/mol:	352.091535
ΔH_f, kcal/mol:	-90.95
Dipole, Da:	5.58
IP(EA), eV:	-9.97(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-[(2,5-dimethylthiophen-3-yl)methyl]-4-ethyl-3,4-dihydropyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CC1(CNS(=O)(=O)C2=C(O1)N=CC=C2)C

DOS

IR

Vibrations