Geometry & MOs

Info

ID:	144200
PubChem CID:	53331794
Reduced:	O2S2N3H19C20 (1)
Stoich.:	A2B2C3D19E20 (1)
Weight, g/mol:	465.136781
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	4.0
IP(EA), eV:	-8.98(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(4-butoxyphenyl)-4-[(2-chloro-6-fluorophenyl)methyl]-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,7,10-tetraen-5-one

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3=NC(=NC=C3S1(=O)=O)SCC4=CC=C(C=C4)C

DOS

IR

Vibrations