Geometry & MOs

Info

ID:	191721
PubChem CID:	78181674
Reduced:	O3N5C8H8 (1)
Stoich.:	A3B5C8D8 (1)
Weight, g/mol:	361.112129
ΔH_f, kcal/mol:	-42.23
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.804821
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxo-1,3-diazinane-5-carbonyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=O)C2=NC=NC2=[N+](C1=O)CC(=O)N

DOS

IR

Vibrations