Geometry & MOs

Info

ID:	306246
PubChem CID:	125003314
Reduced:	N2O2C21H26 (1)
Stoich.:	A2B2C21D26 (1)
Weight, g/mol:	362.166414
ΔH_f, kcal/mol:	-58.12
Dipole, Da:	5.24
IP(EA), eV:	-9.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(5R,6R)-6-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@H](COC1)C(=O)N2CCC(CC2)CC3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations