Geometry & MOs

Info

ID:	26575
PubChem CID:	653140
Reduced:	S2N3O4H9C13 (1)
Stoich.:	A2B3C4D9E13 (1)
Weight, g/mol:	308.163711
ΔH_f, kcal/mol:	-52.71
Dipole, Da:	4.77
IP(EA), eV:	-9.34(-2.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroindol-1-yl-(1-pyrimidin-2-ylpiperidin-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations