Geometry & MOs

Info

ID:	135633
PubChem CID:	51906809
Reduced:	F2N2O4C21H22 (1)
Stoich.:	A2B2C4D21E22 (1)
Weight, g/mol:	434.097014
ΔH_f, kcal/mol:	-211.33
Dipole, Da:	1.03
IP(EA), eV:	-8.8(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-2-ethoxyphenoxy)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)N(C)CC1=CC2=C(C=C1)OCO2)NC(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations