Geometry & MOs

Info

ID:	171378
PubChem CID:	75369363
Reduced:	SN2O3H24C25 (1)
Stoich.:	AB2C3D24E25 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-73.53
Dipole, Da:	4.03
IP(EA), eV:	-8.76(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,3-dihydroindol-1-ylsulfonyl)ethyl]-2-(4-hydroxypiperidin-1-yl)-2-phenylacetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CCC2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3)O

DOS

IR

Vibrations