Geometry & MOs

Info

ID:	33564
PubChem CID:	7887006
Reduced:	OSN2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	360.123383
ΔH_f, kcal/mol:	-54.61
Dipole, Da:	2.05
IP(EA), eV:	-8.9(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)NC(=O)CSC1=NC=NC2=C1C3=C(S2)CCC3

DOS

IR

Vibrations