Geometry & MOs

Info

ID:	190218
PubChem CID:	77971031
Reduced:	N4O6C15H18 (1)
Stoich.:	A4B6C15D18 (1)
Weight, g/mol:	383.12634
ΔH_f, kcal/mol:	-208.35
Dipole, Da:	3.79
IP(EA), eV:	-9.67(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylsulfanyl-3-(1,3,4-trihydroxypentan-2-yloxymethyl)-3,5,7,9,12-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-one

Drug info:

PubChemData

Smile

CC(C(C(CO)OCN1C=C2C(=O)CC(=O)NC3=C2C1=NC=N3)O)O

DOS

IR

Vibrations