Geometry & MOs

Info

ID:	308387
PubChem CID:	125326852
Reduced:	OSN5C17H19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	35.55
Dipole, Da:	6.21
IP(EA), eV:	-8.25(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,8R)-6-cyclohexyl-2-(3-methoxyphenyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-10,12,14,16-tetraene-4,7-dione

Drug info:

PubChemData

Smile

C1CCC2=C(CC1)NN=C2C(=O)N[C@H]3NC(=CS3)C4=CN=CC=C4

DOS

IR

Vibrations