Geometry & MOs

Info

ID:	444596
PubChem CID:	135262981
Reduced:	O2C7H8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	488.128504
ΔH_f, kcal/mol:	-147.46
Dipole, Da:	4.8
IP(EA), eV:	-9.3(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chloro-2-methylphenyl)-(5-methylfuran-2-yl)methyl]-2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)pyrimidin-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1(OCC2=C(O1)C=C(C=C2)C3(CC3)C(=O)O)C

DOS

IR

Vibrations