Geometry & MOs

Info

ID:	52136
PubChem CID:	12014925
Reduced:	OS8C10H10 (1)
Stoich.:	AB8C10D10 (1)
Weight, g/mol:	231.056529
ΔH_f, kcal/mol:	-6.09
Dipole, Da:	3.19
IP(EA), eV:	-8.87(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(aminomethyl)-2-methoxyphenyl] methanesulfonate

Drug info:

PubChemData

Smile

CCC1=C2C(=C(C3=C1SS(=O)S3)CC)SSSSS2

DOS

IR

Vibrations