Geometry & MOs

Info

ID:	125958
PubChem CID:	50945658
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-134.35
Dipole, Da:	6.79
IP(EA), eV:	-8.51(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-ethyl-N-(oxolan-2-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2CCN(CC2)C)C3=CC(=CC=C3)OC

DOS

IR

Vibrations