Geometry & MOs

Info

ID:	143202
PubChem CID:	53163179
Reduced:	O2S2N4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	35.21
Dipole, Da:	2.35
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethoxyphenyl)-N-[(1-ethylindazol-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)CNS(=O)(=O)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations