Geometry & MOs

Info

ID:	230510
PubChem CID:	87571158
Reduced:	S2N3O7C27H29 (1)
Stoich.:	A2B3C7D27E29 (1)
Weight, g/mol:	557.988912
ΔH_f, kcal/mol:	-181.47
Dipole, Da:	5.63
IP(EA), eV:	-9.12(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-[[2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC(C2=CC=C(C=C2)S(=O)(=O)C3CC3)C(=O)NC4=NC=C(S4)OC5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations