Geometry & MOs

Info

ID:	77234
PubChem CID:	48425956
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	333.168856
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	4.15
IP(EA), eV:	-8.77(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=C(SC2=C1CCSC2)N3C=CC=C3

DOS

IR

Vibrations