Geometry & MOs

Info

ID:	149955
PubChem CID:	53789637
Reduced:	SBr2N2O3C13H18 (1)
Stoich.:	AB2C2D3E13F18 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-120.15
Dipole, Da:	5.24
IP(EA), eV:	-8.6(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-4-[(4-piperazin-1-ylphenyl)carbamoyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C=CC=C1S(=O)(=O)N)C(CBr)Br

DOS

IR

Vibrations