Geometry & MOs

Info

ID:	122963
PubChem CID:	50828742
Reduced:	O2N4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	472.123898
ΔH_f, kcal/mol:	18.21
Dipole, Da:	4.79
IP(EA), eV:	-9.0(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroindol-1-yl-[1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)C3=NC(=NO3)C4=CC=CC=C4

DOS

IR

Vibrations