Geometry & MOs

Info

ID:	431248
PubChem CID:	135171319
Reduced:	N2O2C21H34 (1)
Stoich.:	A2B2C21D34 (1)
Weight, g/mol:	217.020892
ΔH_f, kcal/mol:	-108.77
Dipole, Da:	4.06
IP(EA), eV:	-8.65(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dioxo-1,5,6,7-tetrahydrothiopyrano[3,2-b]pyrrole-2-carbonyl fluoride

Drug info:

PubChemData

Smile

CCN(C)[C@H]1CCC[C@H](C1)N(CC2=CC=CC=C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations