Geometry & MOs

Info

ID:

444542

PubChem CID:

135262790

Reduced:

ClSN4O5C16H19 (1)

Stoich.:

ABC4D5E16F19 (1)

Weight, g/mol:

546.04602

ΔHf, kcal/mol:

-113.29

Dipole, Da:

8.95

IP(EA), eV:

 -9.59(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-])N.Cl

DOS

IR

Vibrations