Geometry & MOs

Info

ID:	264005
PubChem CID:	103415283
Reduced:	O2S2N4C13H22 (1)
Stoich.:	A2B2C4D13E22 (1)
Weight, g/mol:	393.99661
ΔH_f, kcal/mol:	-55.96
Dipole, Da:	4.72
IP(EA), eV:	-8.91(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-3-[2-(bromomethyl)-5-(2-methoxyethoxy)pentyl]benzene

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)N2CCC(C2)N3CCC(CC3)N

DOS

IR

Vibrations