Geometry & MOs

Info

ID:	65979
PubChem CID:	46484798
Reduced:	O2N4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-33.86
Dipole, Da:	5.34
IP(EA), eV:	-8.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[(4-cyanophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)C2=CC(=NN2C(C)(C)C)C3CC3

DOS

IR

Vibrations