Geometry & MOs

Info

ID:	311178
PubChem CID:	126589753
Reduced:	FSN2O6C24H25 (1)
Stoich.:	ABC2D6E24F25 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-156.31
Dipole, Da:	1.62
IP(EA), eV:	-9.08(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,7S)-11-benzyl-4-cyclohexyl-10-methyl-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

Drug info:

PubChemData

Smile

CCOC1=C(ON=C1COC2=CC=CC(=C2)C(CC(=O)O)SC3CC3)C4=CC(=NC=C4F)OC

DOS

IR

Vibrations