Geometry & MOs

Info

ID:	138958
PubChem CID:	52448744
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	394.073576
ΔH_f, kcal/mol:	-166.44
Dipole, Da:	4.6
IP(EA), eV:	-9.64(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-cyanophenoxy)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C

DOS

IR

Vibrations