Geometry & MOs

Info

ID:	298977
PubChem CID:	117664945
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-92.59
Dipole, Da:	2.27
IP(EA), eV:	-9.14(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[[7-(hydroxyamino)-7-oxoheptyl]-sulfinoamino]methyl]phenyl]-2-methyl-1H-indole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1C2CCC(N2)CC1NCC3=CC=CC=C3

DOS

IR

Vibrations