Geometry & MOs

Info

ID:	388360
PubChem CID:	134988910
Reduced:	ClNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	319.96373
ΔH_f, kcal/mol:	-79.72
Dipole, Da:	2.75
IP(EA), eV:	-9.72(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(E)-2-butylsulfanyl-1-chloroethenoxy]benzene

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations