Geometry & MOs

Info

ID:	359377
PubChem CID:	127298512
Reduced:	SO2N3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	399.252192
ΔH_f, kcal/mol:	-93.13
Dipole, Da:	5.53
IP(EA), eV:	-9.1(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[1-[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)NC2CCN(CC2)CC(=O)N3CCC4=C(C3)C=CS4

DOS

IR

Vibrations