Geometry & MOs

Info

ID:	444692
PubChem CID:	135263272
Reduced:	BrNO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	551.245392
ΔH_f, kcal/mol:	-29.35
Dipole, Da:	2.82
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-hydroxyphenyl]-N-[(5-methylfuran-2-yl)-(4-methyl-2-piperidin-1-ylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1(OC(=NO1)C2=CC=C(C=C2)CBr)C

DOS

IR

Vibrations