Geometry & MOs

Info

ID:	431244
PubChem CID:	135171315
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	185.031063
ΔH_f, kcal/mol:	-46.55
Dipole, Da:	4.54
IP(EA), eV:	-9.06(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H]1CCC[C@H](C1)NCC2=CC3=C(O2)C=CC(=C3)F)C(=O)C4=NC5=CC=CC=C5N4

DOS

IR

Vibrations