Geometry & MOs

Info

ID:	405500
PubChem CID:	135074180
Reduced:	SN3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	392.209993
ΔH_f, kcal/mol:	149.5
Dipole, Da:	3.87
IP(EA), eV:	-7.97(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (10R,16R)-16-methyl-6-oxido-14-aza-6-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-14-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(N=C2)[N-][N+]3=CC=CC=C3)C4=CSC=C4

DOS

IR

Vibrations