Geometry & MOs

Info

ID:	59190
PubChem CID:	24775709
Reduced:	Cl2S2N4O4C29H32 (1)
Stoich.:	A2B2C4D4E29F32 (1)
Weight, g/mol:	406.06551
ΔH_f, kcal/mol:	-82.41
Dipole, Da:	6.19
IP(EA), eV:	-8.66(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[2-chloro-5-(1,3-thiazol-2-yl)phenyl]pyridin-3-yl]-3-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(SC=C1)C2=N[C@H]([C@H](N2C(=O)N3CCN(CC3)CCS(=O)(=O)C)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations