Geometry & MOs

Info

ID:	244564
PubChem CID:	99364982
Reduced:	ClOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	372.08116
ΔH_f, kcal/mol:	43.65
Dipole, Da:	5.15
IP(EA), eV:	-9.01(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC(=C(N=C2)SC3=NC=CN3C)Cl

DOS

IR

Vibrations