Geometry & MOs

Info

ID:	190219
PubChem CID:	77971032
Reduced:	SN5O5C15H21 (1)
Stoich.:	AB5C5D15E21 (1)
Weight, g/mol:	321.143704
ΔH_f, kcal/mol:	-170.78
Dipole, Da:	2.69
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5,7,9,12-pentazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaen-3-ylmethoxy)pentane-1,3,4-triol

Drug info:

PubChemData

Smile

CC(C(C(CO)OCN1C=C2C3=C(NC(=O)CN2)N=C(N=C31)SC)O)O

DOS

IR

Vibrations