Geometry & MOs

Info

ID:	246823
PubChem CID:	103065040
Reduced:	SN2O2C14H24 (1)
Stoich.:	AB2C2D14E24 (1)
Weight, g/mol:	256.124549
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	2.65
IP(EA), eV:	-8.75(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propyl-1-(thiolan-3-yl)-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CCC1C(=O)NC(C(=O)N1C2CCSC2)(CC)CC

DOS

IR

Vibrations