Geometry & MOs

Info

ID:	444645
PubChem CID:	135263120
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-61.34
Dipole, Da:	6.88
IP(EA), eV:	-8.71(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=CC(=C2)OC)C=O

DOS

IR

Vibrations