Geometry & MOs

Info

ID:	408307
PubChem CID:	135081072
Reduced:	N5C15H16 (2)
Stoich.:	A5B15C16 (2)
Weight, g/mol:	457.84628
ΔH_f, kcal/mol:	234.47
Dipole, Da:	8.06
IP(EA), eV:	-7.84(-2.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dibromo-3,4,4-trichlorobuta-1,3-dienyl)sulfanyloctane

Drug info:

PubChemData

Smile

CC1(C2=NC3=C4C=CC=NC4=C(N3)N=C5C(C(C(=N5)N=C6C7=C(C(=NC(=N2)C1(C)C)N6)N=CC=C7)(C)C)(C)C)C

DOS

IR

Vibrations