Geometry & MOs

Info

ID:	161112
PubChem CID:	57390810
Reduced:	ClSN3O3H22C23 (1)
Stoich.:	ABC3D3E22F23 (1)
Weight, g/mol:	455.10704
ΔH_f, kcal/mol:	-70.38
Dipole, Da:	6.63
IP(EA), eV:	-8.77(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S)-3-[[2-(4-chlorophenyl)-5-methyl-1,3-thiazole-4-carbonyl]amino]piperidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=C(C=C2)Cl)C(=O)NC3CCCN(C3)C4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations