Geometry & MOs

Info

ID:	200712
PubChem CID:	79430835
Reduced:	BrNSC18H24 (1)
Stoich.:	ABCD18E24 (1)
Weight, g/mol:	367.98148
ΔH_f, kcal/mol:	19.88
Dipole, Da:	2.85
IP(EA), eV:	-8.9(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-2-(3-chlorophenyl)butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC(CCC1=CSC=C1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations