Geometry & MOs

Info

ID:	444650
PubChem CID:	135263135
Reduced:	NOCl2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	468.183127
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	4.65
IP(EA), eV:	-9.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=C(O2)Cl)N.Cl

DOS

IR

Vibrations