Geometry & MOs

Info

ID:	68514
PubChem CID:	46508562
Reduced:	N2S2O3C18H22 (1)
Stoich.:	A2B2C3D18E22 (1)
Weight, g/mol:	348.128549
ΔH_f, kcal/mol:	-84.01
Dipole, Da:	8.49
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2,4-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(CC2=CC=CS2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations