Geometry & MOs

Info

ID:	183582
PubChem CID:	77042785
Reduced:	ClFNO2H11C15 (1)
Stoich.:	ABCD2E11F15 (1)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-76.19
Dipole, Da:	2.24
IP(EA), eV:	-8.78(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(hydroxymethyl)phenyl]-4-methyl-6-methylsulfanyl-2-oxo-1,3-diazinane-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=CC(=O)NC2=C(C=C(C=C2)O)F)Cl

DOS

IR

Vibrations