Geometry & MOs

Info

ID:	143718
PubChem CID:	53252478
Reduced:	SN2O2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	473.188546
ΔH_f, kcal/mol:	-21.66
Dipole, Da:	3.59
IP(EA), eV:	-9.01(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-[(2S)-2-amino-3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-yl]-1H-indol-5-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=CC3=CC=CC=C3O2)C(=O)[C@H](CC4=CC=CS4)N

DOS

IR

Vibrations