Geometry & MOs

Info

ID:	402162
PubChem CID:	135054689
Reduced:	BNO3C24H30 (1)
Stoich.:	ABC3D24E30 (1)
Weight, g/mol:	720.098003
ΔH_f, kcal/mol:	-186.79
Dipole, Da:	7.24
IP(EA), eV:	-8.43(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS,8bS)-2,2,7,7-tetrakis(benzenesulfonyl)-1,3,6,8,8a,8b-hexahydro-as-indacene

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C([C@@H]3[C@@H]4C(=C2)CCC(=O)N4C5=CC=CC=C35)C(C)C

DOS

IR

Vibrations