Geometry & MOs

Info

ID:	168904
PubChem CID:	75040359
Reduced:	NO3C11H20 (2)
Stoich.:	AB3C11D20 (2)
Weight, g/mol:	347.132865
ΔH_f, kcal/mol:	-253.95
Dipole, Da:	5.71
IP(EA), eV:	-7.8(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-ethoxy-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

CC(CNC1=CC(=CC=C1)NCC(C)OCCOCCOC)OCCOCCOC

DOS

IR

Vibrations