Geometry & MOs

Info

ID:	246814
PubChem CID:	103065030
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	304.124549
ΔH_f, kcal/mol:	-98.57
Dipole, Da:	6.16
IP(EA), eV:	-8.78(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N(CCC(=O)N1)C2CCSC2

DOS

IR

Vibrations