Geometry & MOs

Info

ID:	444704
PubChem CID:	135263290
Reduced:	BrN2H15C22 (1)
Stoich.:	AB2C15D22 (1)
Weight, g/mol:	506.223929
ΔH_f, kcal/mol:	99.45
Dipole, Da:	2.45
IP(EA), eV:	-7.37(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylphenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC3=CC=CC=C3N2C4=CC=CC5=C4C(=CC=C5)Br

DOS

IR

Vibrations