Geometry & MOs

Info

ID:	51624
PubChem CID:	12014325
Reduced:	SO3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	673.445496
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	5.62
IP(EA), eV:	-8.52(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetraphenylboranuide;tributyl-(2-naphthalen-2-yl-2-oxoethyl)azanium

Drug info:

PubChemData

Smile

CC1(C(=O)C(C12[C@@H]3[C@H](CS2)C(=O)[C@H]4[C@@H]5C[C@H]([C@H]4C3=O)C=C5)(C)C)C

DOS

IR

Vibrations