Geometry & MOs

Info

ID:

172862

PubChem CID:

75561554

Reduced:

BrFSO2N3C25H25 (1)

Stoich.:

ABCD2E3F25G25 (1)

Weight, g/mol:

483.138341

ΔHf, kcal/mol:

-80.35

Dipole, Da:

14.56

IP(EA), eV:

 -8.67(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-[(7-methoxy-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C(=C2)F)C=C3C(=O)NC(=S)N(C3=O)C4=C(C=C(C=C4)Br)C)C)(C)C

DOS

IR

Vibrations