Geometry & MOs

Info

ID:	415870
PubChem CID:	135088872
Reduced:	S2O3N4C13H18 (1)
Stoich.:	A2B3C4D13E18 (1)
Weight, g/mol:	368.104208
ΔH_f, kcal/mol:	-48.68
Dipole, Da:	3.15
IP(EA), eV:	-9.06(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5S)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]acetic acid

Drug info:

PubChemData

Smile

CN(CC1COCCO1)CC2=CC(=O)N3C(=N2)SC(=N3)SC

DOS

IR

Vibrations