Geometry & MOs

Info

ID:	192287
PubChem CID:	78253074
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	371.142939
ΔH_f, kcal/mol:	-5.7
Dipole, Da:	2.97
IP(EA), eV:	-8.81(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6,12-diethyl-12-methyl-4-phenyl-11-oxa-8-thia-4-aza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),6-diene-3,5-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)C(N=C2SC)CC3=CC=CC=C3

DOS

IR

Vibrations