Geometry & MOs

Info

ID:	13697
PubChem CID:	396961
Reduced:	SN2O4H16C17 (1)
Stoich.:	AB2C4D16E17 (1)
Weight, g/mol:	344.083078
ΔH_f, kcal/mol:	-39.28
Dipole, Da:	4.31
IP(EA), eV:	-9.16(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-3-methylsulfanyl-5-nitro-7-phenylmethoxy-1H-indol-2-one

Drug info:

PubChemData

Smile

CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])OCC3=CC=CC=C3)NC1=O)SC

DOS

IR

Vibrations