Geometry & MOs

Info

ID:	230249
PubChem CID:	87570518
Reduced:	S2N3O7C26H27 (1)
Stoich.:	A2B3C7D26E27 (1)
Weight, g/mol:	527.095156
ΔH_f, kcal/mol:	-176.46
Dipole, Da:	10.78
IP(EA), eV:	-9.07(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1S(=O)(=O)C2=CC=C(C=C2)C(C(=O)NC3=NC=C(S3)OC4=CC=C(C=C4)C(=O)O)OC5CCNCC5

DOS

IR

Vibrations