Geometry & MOs

Info

ID:	310681
PubChem CID:	126584286
Reduced:	ClNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	357.131112
ΔH_f, kcal/mol:	-91.16
Dipole, Da:	2.02
IP(EA), eV:	-8.44(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-ethyl-4-(6-fluoro-1H-indol-3-yl)phenyl]sulfanylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=CC=C2)Cl)CCC(O)O

DOS

IR

Vibrations