Geometry & MOs

Info

ID:

231029

PubChem CID:

87572484

Reduced:

ClFSO2N3H14C18 (1)

Stoich.:

ABCD2E3F14G18 (1)

Weight, g/mol:

243.137162

ΔHf, kcal/mol:

18.71

Dipole, Da:

6.53

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755196

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-2-methyl-4-(methylamino)-4-quinazolin-6-ylbut-3-en-2-ol

Drug info:

PubChemData

Smile

C1C=CN=C2[N+]1(C(=C([S+]2CC3=CN=C(C=C3)Cl)O)C4=CC=CC=C4F)[O-]

DOS

IR

Vibrations