Geometry & MOs

Info

ID:	272320
PubChem CID:	103739675
Reduced:	BrSO2N3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	397.134779
ΔH_f, kcal/mol:	0.01
Dipole, Da:	1.35
IP(EA), eV:	-9.43(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylthiane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCCC2=NC(=NO2)C)Br

DOS

IR

Vibrations