Geometry & MOs

Info

ID:	24888
PubChem CID:	614244
Reduced:	SN5H15C21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	369.104817
ΔH_f, kcal/mol:	176.3
Dipole, Da:	6.84
IP(EA), eV:	-9.22(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1-phenyltetrazol-5-yl)sulfanylmethyl]phenanthridine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=NC4=CC=CC=C4C5=CC=CC=C53

DOS

IR

Vibrations