Geometry & MOs

Info

ID:	61587
PubChem CID:	26710791
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	419.043205
ΔH_f, kcal/mol:	1.91
Dipole, Da:	8.56
IP(EA), eV:	-8.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCCC2=CNC3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations