Geometry & MOs

Info

ID:	214869
PubChem CID:	85083773
Reduced:	O8C37H56 (1)
Stoich.:	A8B37C56 (1)
Weight, g/mol:	629.22812
ΔH_f, kcal/mol:	-360.44
Dipole, Da:	4.78
IP(EA), eV:	-9.27(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[bis[3-[[(5-methyltetrazol-1-yl)amino]methylidene]-6-oxocyclohexa-1,4-dien-1-yl]methyl]-N,N-diethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCOCCOC1C2C3(C(C=C1C)C(=O)OC4CC(CC=C(CC(C=CC=C3CO2)C)C)OC5(C4)CCC(C(O5)C(C)C)C)O

DOS

IR

Vibrations