Geometry & MOs

Info

ID:	230625
PubChem CID:	87571504
Reduced:	F2S2N3O6C28H29 (1)
Stoich.:	A2B2C3D6E28F29 (1)
Weight, g/mol:	499.063855
ΔH_f, kcal/mol:	-235.26
Dipole, Da:	6.89
IP(EA), eV:	-9.11(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1CCCN1CC2=CN=C(S2)NC(=O)C(C3=CC=C(C=C3)S(=O)(=O)C4CC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations