Geometry & MOs

Info

ID:	229847
PubChem CID:	87569356
Reduced:	FS2N4O5C24H25 (1)
Stoich.:	AB2C4D5E24F25 (1)
Weight, g/mol:	231.92906
ΔH_f, kcal/mol:	-182.55
Dipole, Da:	6.17
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-bromo-2-chloroethenyl]phenol

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(S4)NCC(=O)N

DOS

IR

Vibrations