Geometry & MOs

Info

ID:	211023
PubChem CID:	80884391
Reduced:	ClSF2N4H9C11 (1)
Stoich.:	ABC2D4E9F11 (1)
Weight, g/mol:	214.041213
ΔH_f, kcal/mol:	-25.6
Dipole, Da:	2.38
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-5-nitrophenyl)sulfanylethanol

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)Cl)SC2=C(C=CC(=C2)F)F

DOS

IR

Vibrations