Geometry & MOs

Info

ID:	238337
PubChem CID:	92732345
Reduced:	N2O3C19H26 (1)
Stoich.:	A2B3C19D26 (1)
Weight, g/mol:	445.239913
ΔH_f, kcal/mol:	-57.23
Dipole, Da:	5.66
IP(EA), eV:	-8.48(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11R)-N-cyclohexyl-10-(3-ethoxypropyl)-4-ethyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NO1)[C@H]2CCCN2CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations