Geometry & MOs

Info

ID:	151700
PubChem CID:	56269605
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	398.166414
ΔH_f, kcal/mol:	-9.42
Dipole, Da:	4.77
IP(EA), eV:	-9.04(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)sulfonyl-N-[1-(2-methylpropyl)indol-5-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=NN1C2=CC=CC(=C2)NC(=O)C3CCN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations