Geometry & MOs

Info

ID:	407752
PubChem CID:	135080507
Reduced:	NSO2C11H23 (1)
Stoich.:	ABC2D11E23 (1)
Weight, g/mol:	220.101191
ΔH_f, kcal/mol:	-102.16
Dipole, Da:	3.18
IP(EA), eV:	-8.16(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,8bR)-8b-fluoro-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)[C@H]1C[C@@H](N1[S@](=O)C(C)(C)C)CO

DOS

IR

Vibrations