Geometry & MOs

Info

ID:

150308

PubChem CID:

53789996

Reduced:

BrO6H13C17 (1)

Stoich.:

AB6C13D17 (1)

Weight, g/mol:

3572.78639

ΔHf, kcal/mol:

-148.42

Dipole, Da:

6.08

IP(EA), eV:

-9.58(-1.6)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(3,3-dichloroprop-2-enyl)-4-methylsulfanylaniline;3-chloro-N-(3,3-dibromoprop-2-enyl)-5-fluoro-4-methylsulfanylaniline;1-chloro-5-(3,3-dibromoprop-2-enylsulfanyl)-2-methoxy-3-methylbenzene;3-chloro-N-(3,3-dichloroprop-2-enyl)-5-fluoro-4-methylsulfanylaniline;3,5-dichloro-N-(3,3-dibromoprop-2-enyl)-4-methylsulfanylaniline;3,5-dichloro-N-(3,3-dichloroprop-2-enyl)-4-methylsulfanylaniline

Drug info:

PubChemData

Smile

CCOC(=O)C(=O)OC1=CC(=O)C=C(C=C1Br)OC2=CC=CC=C2

DOS

IR

Vibrations