Geometry & MOs

Info

ID:	398265
PubChem CID:	135032577
Reduced:	SN2O3C19H20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	286.077599
ΔH_f, kcal/mol:	-54.53
Dipole, Da:	5.38
IP(EA), eV:	-8.57(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[(1R)-2-nitro-1-thiophen-2-ylethyl]-1H-indole

Drug info:

PubChemData

Smile

CC[C@@H](OC)SC1=NC2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations