Geometry & MOs

Info

ID:	132949
PubChem CID:	51450473
Reduced:	N2S2O6H20C21 (1)
Stoich.:	A2B2C6D20E21 (1)
Weight, g/mol:	387.091572
ΔH_f, kcal/mol:	-147.58
Dipole, Da:	2.86
IP(EA), eV:	-9.35(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(naphthalen-1-yloxymethyl)-10-thia-3,5,6,8-tetrazatetracyclo[7.6.0.02,6.011,15]pentadeca-1(9),2,4,7,11(15)-pentaen-7-olate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@@H](CNS(=O)(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

DOS

IR

Vibrations