Geometry & MOs

Info

ID:	169171
PubChem CID:	75069907
Reduced:	S2N3O6C16H19 (1)
Stoich.:	A2B3C6D16E19 (1)
Weight, g/mol:	413.071528
ΔH_f, kcal/mol:	-166.42
Dipole, Da:	6.6
IP(EA), eV:	-9.61(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(hydroxymethyl)-4-[(4-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)SSC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations