Geometry & MOs

Info

ID:	137287
PubChem CID:	52184279
Reduced:	NOS2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	281.16876
ΔH_f, kcal/mol:	-45.55
Dipole, Da:	2.26
IP(EA), eV:	-8.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[[3-[[(2S)-2-methylsulfanylpropanoyl]amino]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)SC2CCCC2)SC

DOS

IR

Vibrations