Geometry & MOs

Info

ID:

67592

PubChem CID:

46506778

Reduced:

SN2O2H13C16 (2)

Stoich.:

AB2C2D13E16 (2)

Weight, g/mol:

554.064939

ΔHf, kcal/mol:

-19.48

Dipole, Da:

5.23

IP(EA), eV:

 -8.52(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[6-[(3-methylphenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C4=NC(=NC=C4S2(=O)=O)SCC(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

DOS

IR

Vibrations