Geometry & MOs

Info

ID:	444557
PubChem CID:	135262851
Reduced:	OSN2C19H24 (1)
Stoich.:	ABC2D19E24 (1)
Weight, g/mol:	480.171893
ΔH_f, kcal/mol:	1.3
Dipole, Da:	1.63
IP(EA), eV:	-8.11(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)-(5-methylfuran-2-yl)methyl]-1-(1-methyl-2,2-dioxo-4,2lambda6,1-benzoxathiazin-6-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C(=N/S(=O)C(C)(C)C)/C2=CC=CC(=N2)C)C

DOS

IR

Vibrations