Geometry & MOs

Info

ID:	155117
PubChem CID:	56320710
Reduced:	S2N3O5C19H23 (1)
Stoich.:	A2B3C5D19E23 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-165.26
Dipole, Da:	3.26
IP(EA), eV:	-9.46(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hydroxybenzoyl)amino]propyl]-2-phenylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=C(SC=C2)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations