Geometry & MOs

Info

ID:	274799
PubChem CID:	103811740
Reduced:	SN2O2C10H14 (1)
Stoich.:	AB2C2D10E14 (1)
Weight, g/mol:	230.145285
ΔH_f, kcal/mol:	-54.12
Dipole, Da:	4.23
IP(EA), eV:	-8.75(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-4-methyl-N-(thiolan-3-yl)pentanamide

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=CC=C(O2)CN

DOS

IR

Vibrations