Geometry & MOs

Info

ID:	169170
PubChem CID:	75069906
Reduced:	N2S2Cl3O4C11H15 (1)
Stoich.:	A2B2C3D4E11F15 (1)
Weight, g/mol:	413.071528
ΔH_f, kcal/mol:	-187.51
Dipole, Da:	3.8
IP(EA), eV:	-10.1(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(hydroxymethyl)-4-[(2-nitrophenyl)disulfanyl]oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)CO)SSC(Cl)(Cl)Cl

DOS

IR

Vibrations