Geometry & MOs

Info

ID:	314246
PubChem CID:	126621019
Reduced:	NO2S2C3H7 (1)
Stoich.:	AB2C2D3E7 (1)
Weight, g/mol:	532.090737
ΔH_f, kcal/mol:	-47.77
Dipole, Da:	5.75
IP(EA), eV:	-8.63(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(4-chloro-6-morpholin-4-yl-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-12-yl)methyl]-1-oxo-1,4-thiazinan-1-ylidene]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

CSNS(=O)(=O)C=C

DOS

IR

Vibrations