Geometry & MOs

Info

ID:	246635
PubChem CID:	103064101
Reduced:	SN2O3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-111.29
Dipole, Da:	7.92
IP(EA), eV:	-8.78(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(thiolan-3-ylcarbamoylamino)methyl]cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)N2CC(C3=CC=CC=C3C2)C(=O)O

DOS

IR

Vibrations