Geometry & MOs

Info

ID:

375725

PubChem CID:

134220965

Reduced:

SN3H61C100 (1)

Stoich.:

AB3C61D100 (1)

Weight, g/mol:

325.124883

ΔHf, kcal/mol:

454.26

Dipole, Da:

2.14

IP(EA), eV:

 -7.77(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-3H-pyrimido[2,1-c][1,2,4]thiadiazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=C(C=C6)N(C7=CC8=C(C=C7)C9=CC=CC=C9C81C2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2)C1=CC=CC2=C1SC1=CC=CC=C21)C1=CC2=C(C=C1)C1=CC=CC=C1C21C2=CC=CC=C2C2=C1C1=CC=CC=C1C=C2

DOS

IR

Vibrations