Geometry & MOs

Info

ID:	81760
PubChem CID:	49855110
Reduced:	O2S2N5C22H25 (1)
Stoich.:	A2B2C5D22E25 (1)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	22.56
Dipole, Da:	5.24
IP(EA), eV:	-8.78(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-5-nitroindol-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN(CC2=CSC(=N2)N=C(N)N)S(=O)(=O)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations