Geometry & MOs

Info

ID:	291410
PubChem CID:	112378978
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-121.8
Dipole, Da:	4.41
IP(EA), eV:	-8.94(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-hydroxy-4-phenylbutan-2-yl)pent-4-enamide

Drug info:

PubChemData

Smile

CC1=CSC(=O)N1CCC(=O)NC(C)C(CC2=CC=CC=C2)O

DOS

IR

Vibrations