Geometry & MOs

Info

ID:	274667
PubChem CID:	103810938
Reduced:	SN2O3C13H22 (1)
Stoich.:	AB2C3D13E22 (1)
Weight, g/mol:	274.135114
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	8.03
IP(EA), eV:	-9.07(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)cyclopentyl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2C3CCC(C3)C2N

DOS

IR

Vibrations