Geometry & MOs

Info

ID:	244563
PubChem CID:	99364979
Reduced:	ClOSN4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	372.08116
ΔH_f, kcal/mol:	46.04
Dipole, Da:	3.45
IP(EA), eV:	-8.83(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-6-(1-methylimidazol-2-yl)sulfanyl-N-[(1S)-1-phenylethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)C3=CC(=C(N=C3)SC4=NC=CN4C)Cl

DOS

IR

Vibrations