Geometry & MOs

Info

ID:	191886
PubChem CID:	78197760
Reduced:	S2N6O13C31H50 (1)
Stoich.:	A2B6C13D31E50 (1)
Weight, g/mol:	233.064785
ΔH_f, kcal/mol:	-630.4
Dipole, Da:	4.76
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyethoxymethyl)-5-nitro-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1CCCCC1)C(=O)NC(CS)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations