Geometry & MOs

Info

ID:	302043
PubChem CID:	124338842
Reduced:	SCl2O3N5H19C20 (1)
Stoich.:	AB2C3D5E19F20 (1)
Weight, g/mol:	237.136493
ΔH_f, kcal/mol:	-23.51
Dipole, Da:	7.48
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NNC(=O)COC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations