Geometry & MOs

Info

ID:	307723
PubChem CID:	125308678
Reduced:	OSN4C13H20 (1)
Stoich.:	ABC4D13E20 (1)
Weight, g/mol:	431.148121
ΔH_f, kcal/mol:	7.46
Dipole, Da:	5.64
IP(EA), eV:	-8.64(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,6R,7S)-7-(3,4-dimethoxybenzoyl)-4-phenyl-4,8,9-triazatricyclo[6.4.0.02,6]dodeca-9,11-diene-3,5-dione

Drug info:

PubChemData

Smile

CCCCC[C@H]1C(=NC2=NC(=NN2C1=O)SCC)C

DOS

IR

Vibrations