Geometry & MOs

Info

ID:	33361
PubChem CID:	7886087
Reduced:	SN2O3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	417.154469
ΔH_f, kcal/mol:	-40.79
Dipole, Da:	0.82
IP(EA), eV:	-8.66(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations