Geometry & MOs

Info

ID:	359736
PubChem CID:	127299683
Reduced:	BrON4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	373.182398
ΔH_f, kcal/mol:	-23.33
Dipole, Da:	4.29
IP(EA), eV:	-8.61(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NN1)C(=O)NC2CCN3C2CCCC3)Br

DOS

IR

Vibrations