Geometry & MOs

Info

ID:	159936
PubChem CID:	57298845
Reduced:	ClNOSBr2H14C22 (1)
Stoich.:	ABCDE2F14G22 (1)
Weight, g/mol:	220.14633
ΔH_f, kcal/mol:	43.29
Dipole, Da:	3.57
IP(EA), eV:	-9.1(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-phenylethoxy)hexanal

Drug info:

PubChemData

Smile

CC1=C2C(=CC3=CC=CC=C3SC4=CC=C(C=C4)Cl)C(=O)NC2=C(C=C1Br)Br

DOS

IR

Vibrations