Geometry & MOs

Info

ID:	291459
PubChem CID:	112379027
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	316.124549
ΔH_f, kcal/mol:	-94.91
Dipole, Da:	4.92
IP(EA), eV:	-9.4(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)-6-methylsulfanylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations