Geometry & MOs

Info

ID:	173644
PubChem CID:	75664645
Reduced:	NO2C13H13 (2)
Stoich.:	AB2C13D13 (2)
Weight, g/mol:	419.131506
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	17.25
IP(EA), eV:	-8.73(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[[4-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-1,3-diazinan-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC[NH+]1CC(=CC2=CC(=C(C=C2)OCC=C)OC)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

DOS

IR

Vibrations