Geometry & MOs

Info

ID:

67624

PubChem CID:

46506839

Reduced:

BrClFS2N3O5H14C19 (1)

Stoich.:

ABCD2E3F5G14H19 (1)

Weight, g/mol:

550.090011

ΔHf, kcal/mol:

-171.46

Dipole, Da:

10.61

IP(EA), eV:

 -9.39(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[6-[(4-methylphenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=C(C=C(C=C3)Br)F)Cl

DOS

IR

Vibrations