Geometry & MOs

Info

ID:	194190
PubChem CID:	78496855
Reduced:	FSO3N4C20H23 (1)
Stoich.:	ABC3D4E20F23 (1)
Weight, g/mol:	350.141262
ΔH_f, kcal/mol:	-112.42
Dipole, Da:	3.36
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[(4-ethyl-6-oxo-1,3-diazinan-2-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2C(=O)NC(NN2)SCC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations