Geometry & MOs

Info

ID:	244567
PubChem CID:	99364991
Reduced:	OSN2C21H26 (1)
Stoich.:	ABC2D21E26 (1)
Weight, g/mol:	359.049526
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	3.94
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methylphenyl) 5-chloro-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)CN3CCSCC3)C

DOS

IR

Vibrations