Geometry & MOs

Info

ID:	172776
PubChem CID:	75551077
Reduced:	FS2N4O5C24H29 (1)
Stoich.:	AB2C4D5E24F29 (1)
Weight, g/mol:	507.030111
ΔH_f, kcal/mol:	-203.04
Dipole, Da:	2.53
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[4-oxo-5-[3-(trifluoromethyl)phenyl]sulfonyl-1,3-diazinan-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)C2CNC(NC2=O)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations