Geometry & MOs

Info

ID:	31299
PubChem CID:	855543
Reduced:	SO3N4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	334.055818
ΔH_f, kcal/mol:	14.11
Dipole, Da:	8.21
IP(EA), eV:	-9.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1C[C@@H]2CCCO2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations