Geometry & MOs

Info

ID:	35454
PubChem CID:	7979897
Reduced:	SN2O3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-101.45
Dipole, Da:	4.55
IP(EA), eV:	-9.34(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(7-ethyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C[C@H](C)C3=CC=CC=C3

DOS

IR

Vibrations