Geometry & MOs

Info

ID:	219710
PubChem CID:	85164621
Reduced:	S2N5O6C25H37 (1)
Stoich.:	A2B5C6D25E37 (1)
Weight, g/mol:	572.149274
ΔH_f, kcal/mol:	-231.59
Dipole, Da:	5.55
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[[3-azido-5-(2,4-dioxo-1,3-diazinan-1-yl)oxolan-2-yl]methyl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=N)C)CSCCC(=O)N4CCC(C4)C(=O)N)C(=O)O)C(C)O

DOS

IR

Vibrations