Geometry & MOs

Info

ID:	191727
PubChem CID:	78182305
Reduced:	ON2S2H14C21 (1)
Stoich.:	AB2C2D14E21 (1)
Weight, g/mol:	498.182458
ΔH_f, kcal/mol:	115.96
Dipole, Da:	2.92
IP(EA), eV:	-8.89(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-ethyl 1-O-methyl 5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,2-dicarboxylate

Drug info:

PubChemData

Smile

C#CCSC1=C(C2=CC=CC=C2N=C1)SC3C=NC4=CC=CC=C4C3=O

DOS

IR

Vibrations