Geometry & MOs

Info

ID:	424320
PubChem CID:	135122182
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	272.986257
ΔH_f, kcal/mol:	-73.4
Dipole, Da:	4.66
IP(EA), eV:	-9.63(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-chlorosulfonyl-1H-indole-6-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CC=C2)C(=O)NCCNC(=O)O

DOS

IR

Vibrations