Geometry & MOs

Info

ID:	228110
PubChem CID:	87563467
Reduced:	N4O5C24H26 (1)
Stoich.:	A4B5C24D26 (1)
Weight, g/mol:	490.078583
ΔH_f, kcal/mol:	-93.44
Dipole, Da:	8.97
IP(EA), eV:	-8.76(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[3-(2,1,3-benzothiadiazol-5-yl)-5-(2,2,2-trifluoroethoxy)-4-(trifluoromethyl)phenyl]-3-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(C(=NC=C3)C(=O)N4CCC(C4)O)OC

DOS

IR

Vibrations