Geometry & MOs

Info

ID:	186546
PubChem CID:	77443966
Reduced:	N5O6C42H45 (1)
Stoich.:	A5B6C42D45 (1)
Weight, g/mol:	364.160935
ΔH_f, kcal/mol:	-139.74
Dipole, Da:	4.12
IP(EA), eV:	-8.72(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrrolidin-2-yl)-[5-(2-phenylsulfanylethyl)-1H-indol-3-yl]methanone

Drug info:

PubChemData

Smile

CCCCCCC1=C(N=C(O1)C2=C3C45C(NC6=CC=CC=C64)OC7=C5C=C(CC(C(=O)NC(C(=N2)O3)C(C)C)NC(=O)OCC8=CC=CC=C8)C=C7)C

DOS

IR

Vibrations