Geometry & MOs

Info

ID:	51381
PubChem CID:	12014037
Reduced:	SO3C22H26 (1)
Stoich.:	AB3C22D26 (1)
Weight, g/mol:	814.22667
ΔH_f, kcal/mol:	-104.7
Dipole, Da:	4.67
IP(EA), eV:	-8.86(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (6S,7S)-1,4-bis(4-bromophenyl)-6,7-dioctoxy-5,6,7,8-tetrahydronaphthalene-2,3-dicarboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)(C(=O)C[C@H]([C@@H](C2=CC=CC=C2)O)O)SC3=CC=CC=C3

DOS

IR

Vibrations