Geometry & MOs

Info

ID:	33794
PubChem CID:	7888140
Reduced:	N2O5C23H24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	236.044191
ΔH_f, kcal/mol:	-177.08
Dipole, Da:	9.34
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-12-methylsulfanyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)OC(=O)C2=CC=C(C=C2)CN3CCCC3=O

DOS

IR

Vibrations