Geometry & MOs

Info

ID:	89859
PubChem CID:	49965069
Reduced:	N4O5C16H18 (1)
Stoich.:	A4B5C16D18 (1)
Weight, g/mol:	471.122833
ΔH_f, kcal/mol:	-131.92
Dipole, Da:	4.68
IP(EA), eV:	-9.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(19R)-6-phenyl-3-(trifluoromethyl)-12-thia-10,15,21-triazapentacyclo[11.8.0.02,11.04,9.015,19]henicosa-1(13),2,4(9),10-tetraene-14,20-dione

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C2C(=NN1)OC(=C(C23CCC4COC3O4)C#N)N

DOS

IR

Vibrations