Geometry & MOs

Info

ID:	374435
PubChem CID:	131329359
Reduced:	IN2O2C8H9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	189.08235
ΔH_f, kcal/mol:	-43.13
Dipole, Da:	3.4
IP(EA), eV:	-8.64(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S)-4-(aminomethyl)thiane-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC(=C1N)N)I

DOS

IR

Vibrations