Geometry & MOs

Info

ID:	49115
PubChem CID:	11528726
Reduced:	NPO2C11H20 (1)
Stoich.:	ABC2D11E20 (1)
Weight, g/mol:	229.11365
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	4.28
IP(EA), eV:	-9.59(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,6S,9aR)-6-methyl-3-propan-2-yl-3,8,9,9a-tetrahydro-2H-[1,3]oxazolo[3,2-d][1,4]thiazepin-5-one

Drug info:

PubChemData

Smile

C1CCC(CC1)P(=O)(C2=CCC(C2)N)O

DOS

IR

Vibrations