Geometry & MOs

Info

ID:	151554
PubChem CID:	53837787
Reduced:	O4C9H18 (1)
Stoich.:	A4B9C18 (1)
Weight, g/mol:	640.235844
ΔH_f, kcal/mol:	-202.87
Dipole, Da:	3.88
IP(EA), eV:	-10.16(1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-4-[4-[(2S)-2-methylbutoxy]phenoxy]carbonylphenyl] 3-chloro-4-undec-10-enoxybenzoate

Drug info:

PubChemData

Smile

CCC1CC(C(C(O1)OCC)O)O

DOS

IR

Vibrations