Geometry & MOs

Info

ID:	374517
PubChem CID:	131330761
Reduced:	BrClOSC11H12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	342.91531
ΔH_f, kcal/mol:	-30.77
Dipole, Da:	3.89
IP(EA), eV:	-8.74(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-iodo-5-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(C(=O)C1=C(C=CC(=C1)SC)CCl)Br

DOS

IR

Vibrations