Geometry & MOs

Info

ID:

174275

PubChem CID:

75747039

Reduced:

SN2O2C20H29 (1)

Stoich.:

AB2C2D20E29 (1)

Weight, g/mol:

385.065176

ΔHf, kcal/mol:

-19.77

Dipole, Da:

2.46

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.815211

Charge, e:

 0

Chem-info

IUPAC name:

7-benzylidene-3-(5-chloro-2-methoxyphenyl)-2,4-dihydroimidazo[2,1-b][1,3,5]thiadiazin-6-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[NH+]2CCN(CC2)CC(COCC3=CC=CS3)O)C

DOS

IR

Vibrations