Geometry & MOs

Info

ID:	61579
PubChem CID:	26710689
Reduced:	S2O3N5C16H17 (1)
Stoich.:	A2B3C5D16E17 (1)
Weight, g/mol:	372.09662
ΔH_f, kcal/mol:	26.02
Dipole, Da:	6.78
IP(EA), eV:	-9.12(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dimethylphenoxy)-N-[[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCC2=CC=C(S2)C3=CSC(=N3)C)C)[N+](=O)[O-]

DOS

IR

Vibrations