Geometry & MOs

Info

ID:	323150
PubChem CID:	126673017
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	426.080491
ΔH_f, kcal/mol:	68.88
Dipole, Da:	4.75
IP(EA), eV:	-8.56(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(4-chlorophenyl)-4,5,13-trimethyl-12-oxo-3-thia-8,13-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,7,10-pentaen-9-yl]acetic acid

Drug info:

PubChemData

Smile

CNC1=NN2C(=NC=C2C3=CN=C(C=C3)OC)C=C1

DOS

IR

Vibrations