Geometry & MOs

Info

ID:	374678
PubChem CID:	131342388
Reduced:	SO2H4N4C7 (1)
Stoich.:	AB2C4D4E7 (1)
Weight, g/mol:	317.02766
ΔH_f, kcal/mol:	39.59
Dipole, Da:	4.89
IP(EA), eV:	-10.11(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-amino-5-iodo-7-methyl-3,4-dihydro-2H-naphthalen-1-yl]methanol

Drug info:

PubChemData

Smile

C1=C(SN=C1)C2=CN=C(N=N2)C(=O)O

DOS

IR

Vibrations