Geometry & MOs

Info

ID:	291429
PubChem CID:	112378997
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	281.14495
ΔH_f, kcal/mol:	-0.06
Dipole, Da:	8.45
IP(EA), eV:	-9.58(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethylsulfanyl-N-(3-hydroxy-4-phenylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C(CC1=CC=CC=C1)O)NC(=O)C2=CC3=C(C=C2)N(N=N3)C

DOS

IR

Vibrations