Geometry & MOs

Info

ID:	145399
PubChem CID:	53516353
Reduced:	ClSO3N4C15H19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-81.9
Dipole, Da:	6.96
IP(EA), eV:	-9.46(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-7-nitro-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1S(=O)(=O)CCNC(=O)NCCCN2C=CN=C2)Cl

DOS

IR

Vibrations