Geometry & MOs

Info

ID:	162332
PubChem CID:	57394331
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	8.93
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-5-pyridin-2-ylsulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

Drug info:

PubChemData

Smile

CN1C2CCC1C3=C(C2)N(C4=C3C=C(C=C4)S(=O)(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations