Geometry & MOs

Info

ID:	44973
PubChem CID:	10506960
Reduced:	SiO7C31H42 (1)
Stoich.:	AB7C31D42 (1)
Weight, g/mol:	554.350843
ΔH_f, kcal/mol:	-282.26
Dipole, Da:	0.53
IP(EA), eV:	-9.04(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-(N-heptylanilino)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CCOC(C#CC1([C@H]2[C@@H]([C@H](O1)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)OC(O2)(C)C)O)OCC

DOS

IR

Vibrations