Geometry & MOs

Info

ID:	371157
PubChem CID:	127342682
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-65.85
Dipole, Da:	2.76
IP(EA), eV:	-8.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCCN(CC2)C(=O)CNC(=O)C3=CSC=C3

DOS

IR

Vibrations