Geometry & MOs

Info

ID:	179402
PubChem CID:	76477677
Reduced:	ON2C28H46 (1)
Stoich.:	AB2C28D46 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-71.62
Dipole, Da:	3.03
IP(EA), eV:	-9.0(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methyl-3-oxo-6-propan-2-yloxy-4a,5,6,7,8,8a-hexahydrobenzo[e][1,2,4]thiadiazin-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CCCCCCCCC1CC1CCCCCCCC(=O)NNC2CCC3=CC=CC=C23

DOS

IR

Vibrations