Geometry & MOs

Info

ID:	426293
PubChem CID:	135143198
Reduced:	S2N5O5C29H35 (1)
Stoich.:	A2B5C5D29E35 (1)
Weight, g/mol:	228.056863
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	2.29
IP(EA), eV:	-9.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-2,3-dihydropyrido[2,3-b][1,4,5]oxathiazepine 1,1-dioxide

Drug info:

PubChemData

Smile

CC[C@@H]1CN(S(=O)(=O)C2=CC=CC=C2O1)CC3=C(SC(=N3)C(C4=C(C5=C(C=C4)N(N=N5)CC)C)C(C)(C)C(=O)O)C

DOS

IR

Vibrations