Geometry & MOs

Info

ID:	156796
PubChem CID:	56385657
Reduced:	F2N3O3H19C22 (1)
Stoich.:	A2B3C3D19E22 (1)
Weight, g/mol:	449.213698
ΔH_f, kcal/mol:	-143.91
Dipole, Da:	4.7
IP(EA), eV:	-8.6(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyano-1-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydroindol-2-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC3=CC=CC=C3C=C2C(=O)OCC(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations