Geometry & MOs

Info

ID:	176044
PubChem CID:	75988357
Reduced:	BrNS2O3C24H24 (1)
Stoich.:	ABC2D3E24F24 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-56.34
Dipole, Da:	2.13
IP(EA), eV:	-8.73(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-2-[1-(4-chlorophenyl)-2-nitroethyl]-2H-indol-3-one

Drug info:

PubChemData

Smile

CCSC1=C(C2N(C1=O)C(C(S2)(C)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)Br

DOS

IR

Vibrations