Geometry & MOs

Info

ID:	143719
PubChem CID:	53252479
Reduced:	SO2N5C26H27 (1)
Stoich.:	AB2C5D26E27 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-0.13
Dipole, Da:	7.58
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-[4-[5-(3,4-dimethoxyphenyl)-1H-indol-2-yl]piperidin-1-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=C(N2)C=CC(=C3)C4=CC(=CC=C4)C(=O)N)C(=O)[C@H](CC5=NC=CS5)N

DOS

IR

Vibrations