Geometry & MOs

Info

ID:	126045
PubChem CID:	50949507
Reduced:	OSN6C14H20 (1)
Stoich.:	ABC6D14E20 (1)
Weight, g/mol:	337.146013
ΔH_f, kcal/mol:	44.11
Dipole, Da:	3.32
IP(EA), eV:	-9.39(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylindol-1-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=NC=CS1)C(=O)C2=CN(N=N2)CC3CCCNC3

DOS

IR

Vibrations