Geometry & MOs

Info

ID:	372585
PubChem CID:	131300298
Reduced:	O2S2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	286.93487
ΔH_f, kcal/mol:	-47.94
Dipole, Da:	2.66
IP(EA), eV:	-7.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(bromomethyl)-3-chloro-2-cyanophenyl]acetic acid

Drug info:

PubChemData

Smile

CCOC1=CSC2=C1C=C(C=C2SC)O

DOS

IR

Vibrations