Geometry & MOs

Info

ID:	121104
PubChem CID:	50756081
Reduced:	SO2N3C27H33 (1)
Stoich.:	AB2C3D27E33 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-45.7
Dipole, Da:	3.05
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-10-(3-ethoxypropyl)-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

CC1CCC(CC1)NC(=O)C2(CN3C4=C(C=C3C(=O)N2CCCC5=CC=CC=C5)SC=C4)C

DOS

IR

Vibrations