Geometry & MOs

Info

ID:	227283
PubChem CID:	87561036
Reduced:	N2O2C7H12 (1)
Stoich.:	A2B2C7D12 (1)
Weight, g/mol:	464.090529
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	3.77
IP(EA), eV:	-10.04(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(benzenesulfonylmethyl)-4-methoxy-3-phenyl-6-(trifluoromethyl)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCN(C(=O)CN)C(=O)C=C

DOS

IR

Vibrations