Geometry & MOs

Info

ID:	43331
PubChem CID:	10321140
Reduced:	FSN2O3C24H27 (1)
Stoich.:	ABC2D3E24F27 (1)
Weight, g/mol:	442.225643
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	5.27
IP(EA), eV:	-8.62(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-(dibenzylamino)ethyl]-1H-indol-2-yl]-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=C(C=C1)SCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC

DOS

IR

Vibrations