Geometry & MOs

Info

ID:	121105
PubChem CID:	50756118
Reduced:	SN3O3C22H31 (1)
Stoich.:	AB3C3D22E31 (1)
Weight, g/mol:	455.143426
ΔH_f, kcal/mol:	-109.04
Dipole, Da:	3.72
IP(EA), eV:	-8.48(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(5-chloro-2-methylphenyl)-N-cyclohexyl-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

CCOCCCN1C(=O)C2=CC3=C(N2CC1(C)C(=O)NC4CCCCC4)C=CS3

DOS

IR

Vibrations