Geometry & MOs

Info

ID:	335614
PubChem CID:	127254476
Reduced:	SN4O6C25H26 (1)
Stoich.:	AB4C6D25E26 (1)
Weight, g/mol:	321.216475
ΔH_f, kcal/mol:	-155.95
Dipole, Da:	8.38
IP(EA), eV:	-8.84(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCC3=NC(=NO3)CS(=O)(=O)C4=CC=CC=C4)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations