Geometry & MOs

Info

ID:	218768
PubChem CID:	85089946
Reduced:	S2N5O5C22H29 (1)
Stoich.:	A2B5C5D22E29 (1)
Weight, g/mol:	507.25154
ΔH_f, kcal/mol:	-139.97
Dipole, Da:	5.43
IP(EA), eV:	-9.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-azido-1-[3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-4-phenylbutan-2-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

C1CCN(C(C(C1)NS(=O)(=O)C2=CC3=C(C=C2)OCC3)O)CC(=O)NCC4=CC=C(S4)C(=N)N

DOS

IR

Vibrations