Geometry & MOs

Info

ID:	144402
PubChem CID:	53363664
Reduced:	O11C39H60 (1)
Stoich.:	A11B39C60 (1)
Weight, g/mol:	357.078327
ΔH_f, kcal/mol:	-517.33
Dipole, Da:	1.63
IP(EA), eV:	-9.42(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1H-indol-5-yl 4-(2-oxoimidazolidin-1-yl)benzenesulfonate

Drug info:

Smile

C[C@H](C[C@H]([C@H]1C(O1)(C)C)OC(=O)C)C2C(=O)C([C@@]3([C@@]2(CC[C@]45C3CCC6[C@]4(C5)CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)OC(=O)C)C)C)O

DOS

IR

Vibrations