Geometry & MOs

Info

ID:	442798
PubChem CID:	135256283
Reduced:	O3N9H25C27 (1)
Stoich.:	A3B9C25D27 (1)
Weight, g/mol:	423.136511
ΔH_f, kcal/mol:	75.25
Dipole, Da:	10.31
IP(EA), eV:	-9.09(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(5-amino-4-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridin-2-yl]piperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1COC[C@@H]1NC2=NC(=CC(=N2)C3=CN(N=N3)CC4=NC(=CC=C4)N5CC(C5)C(=O)O)C6=CC=CC(=C6)C#N

DOS

IR

Vibrations