Geometry & MOs

Info

ID:	168905
PubChem CID:	75040470
Reduced:	N3O8C13H21 (1)
Stoich.:	A3B8C13D21 (1)
Weight, g/mol:	318.117549
ΔH_f, kcal/mol:	-331.62
Dipole, Da:	4.41
IP(EA), eV:	-9.96(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diamino-10,11,12,13-tetrahydroxy-13-(hydroxymethyl)-8-oxa-2,4-diazatricyclo[5.3.3.01,6]tridec-3-en-9-one

Drug info:

PubChemData

Smile

CCOC1C2C3C(C(C(C2(C(C(=O)O3)O)NC(=N1)N)O)O)(CO)O

DOS

IR

Vibrations