Geometry & MOs

Info

ID:	133312
PubChem CID:	51507338
Reduced:	NSO4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	413.16608
ΔH_f, kcal/mol:	-173.75
Dipole, Da:	3.6
IP(EA), eV:	-8.91(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(1-adamantyl)-1-oxopropan-2-yl] 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C[C@H]4C(=O)NC5=CC=CC=C5S4

DOS

IR

Vibrations