Geometry & MOs

Info

ID:	126156
PubChem CID:	50953619
Reduced:	O2N8C19H20 (1)
Stoich.:	A2B8C19D20 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	81.01
Dipole, Da:	2.93
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(1S)-2-hydroxy-1-phenylethyl]-N-(2-methylsulfanylphenyl)butanediamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=NN1)C2=C(N=CN2CCCC3=NNN=N3)C4=CC=CC=C4

DOS

IR

Vibrations