Geometry & MOs

Info

ID:	161111
PubChem CID:	57390805
Reduced:	N5O5C19H19 (1)
Stoich.:	A5B5C19D19 (1)
Weight, g/mol:	455.10704
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	2.68
IP(EA), eV:	-9.12(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=C(C3=C(N=CN=C3N2[C@@H]4[C@H]([C@@H]([C@@H](O4)CO)O)O)N)C#N

DOS

IR

Vibrations