Geometry & MOs

Info

ID:	189872
PubChem CID:	77917932
Reduced:	FN2O2C22H29 (1)
Stoich.:	AB2C2D22E29 (1)
Weight, g/mol:	387.057503
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	9.75
IP(EA), eV:	-9.32(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,6-dichlorophenyl)methyl]-4-oxo-N-(thiolan-3-yl)-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

CC(=CCN1C2CCC(C1=O)CN(C2)C(=O)CCCC3=CC=C(C=C3)F)C

DOS

IR

Vibrations