Geometry & MOs

Info

ID:	180006
PubChem CID:	76566114
Reduced:	N5O8C16H21 (1)
Stoich.:	A5B8C16D21 (1)
Weight, g/mol:	682.207701
ΔH_f, kcal/mol:	-306.19
Dipole, Da:	8.51
IP(EA), eV:	-9.37(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	4

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C=NC3C2N=C(NC3=O)N)OC(=O)C)OC(=O)C

DOS

IR

Vibrations