Geometry & MOs

Info

ID:	433030
PubChem CID:	135173167
Reduced:	BrClNC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	965.512795
ΔH_f, kcal/mol:	8.48
Dipole, Da:	4.32
IP(EA), eV:	-9.41(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis[[3-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]oxiran-2-yl]oxy]propyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

Drug info:

PubChemData

Smile

C1CCCC2=NC(=C(C=C2CC1)Br)Cl

DOS

IR

Vibrations