Geometry & MOs

Info

ID:	33374
PubChem CID:	7886127
Reduced:	OSN2C18H18 (1)
Stoich.:	ABC2D18E18 (1)
Weight, g/mol:	407.166748
ΔH_f, kcal/mol:	12.73
Dipole, Da:	0.91
IP(EA), eV:	-8.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-11-yl)-N-phenylacetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CCCC4=CC=CC=C4

DOS

IR

Vibrations