Geometry & MOs

Info

ID:	41833
PubChem CID:	8147210
Reduced:	OSN3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	307.0667
ΔH_f, kcal/mol:	59.33
Dipole, Da:	8.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771697
Charge, e:	0

Chem-info

IUPAC name:

phenyl 2-phenylsulfanylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)[C@@H](C2=CC=CS2)[NH2+]CC3=NC(=O)C4=CC=CC=C4N3

DOS

IR

Vibrations