Geometry & MOs

Info

ID:	360460
PubChem CID:	127301105
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	357.075882
ΔH_f, kcal/mol:	-68.76
Dipole, Da:	1.59
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CN(CC1CC1)C(=O)CN2C=CC3=C(C2=O)C=CO3

DOS

IR

Vibrations