Geometry & MOs

Info

ID:	314240
PubChem CID:	126621002
Reduced:	NOSF2C3H3 (1)
Stoich.:	ABCD2E3F3 (1)
Weight, g/mol:	451.108103
ΔH_f, kcal/mol:	-114.08
Dipole, Da:	2.95
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1S)-1-(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)ethyl]-1,4-thiazinane 1,1-dioxide

Drug info:

PubChemData

Smile

C(=C(F)F)C(=O)NS

DOS

IR

Vibrations