Geometry & MOs

Info

ID:	400692
PubChem CID:	135048775
Reduced:	BN2S2O4C31H31 (1)
Stoich.:	AB2C2D4E31F31 (1)
Weight, g/mol:	246.269011
ΔH_f, kcal/mol:	-103.82
Dipole, Da:	11.97
IP(EA), eV:	-9.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

B1(N([C@@H]([C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C)CC=C

DOS

IR

Vibrations