Geometry & MOs

Info

ID:	392725
PubChem CID:	135017748
Reduced:	SN2O4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	399.114044
ΔH_f, kcal/mol:	-68.39
Dipole, Da:	6.11
IP(EA), eV:	-8.68(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-(4-methylphenyl)sulfonyl-4-(2-oxoethyl)indol-5-yl]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)[C@]4(C(=O)C5=CC=CC=C5N4)CC(=O)C

DOS

IR

Vibrations