Geometry & MOs

Info

ID:	246815
PubChem CID:	103065031
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	268.124549
ΔH_f, kcal/mol:	-50.44
Dipole, Da:	4.71
IP(EA), eV:	-8.83(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCC(=O)N1)C2CCSC2)C3=CC=CC=C3

DOS

IR

Vibrations