Geometry & MOs

Info

ID:	144400
PubChem CID:	53362238
Reduced:	O3C25H40 (1)
Stoich.:	A3B25C40 (1)
Weight, g/mol:	358.062343
ΔH_f, kcal/mol:	-168.88
Dipole, Da:	1.36
IP(EA), eV:	-9.94(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)sulfonyl-4-nitroindol-3-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]5[C@H](C4)O5)C)C

DOS

IR

Vibrations