Geometry & MOs

Info

ID:	176899
PubChem CID:	76108143
Reduced:	SN2O2C40H42 (1)
Stoich.:	AB2C2D40E42 (1)
Weight, g/mol:	264.015805
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	2.53
IP(EA), eV:	-8.17(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6,7,7-tetrafluoro-1,8a-dihydro-[1,4]dioxino[2,3-f]benzimidazol-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C=C2)NCC(CSC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)OC(C)(C)C

DOS

IR

Vibrations