Geometry & MOs

Info

ID:	42905
PubChem CID:	8150168
Reduced:	O2S2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	356.143273
ΔH_f, kcal/mol:	12.09
Dipole, Da:	4.68
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]-(2-phenoxyethyl)azanium

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N(C)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations