Geometry & MOs

Info

ID:	144419
PubChem CID:	53365541
Reduced:	OSN3C21H23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	3.32
Dipole, Da:	5.21
IP(EA), eV:	-8.52(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanopyridin-2-yl)sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NC(=C(S2)C(=O)NCC3=CC=CC=C3C)C)C

DOS

IR

Vibrations