Geometry & MOs

Info

ID:	61234
PubChem CID:	26707247
Reduced:	ClN2O3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	398.13972
ΔH_f, kcal/mol:	-93.49
Dipole, Da:	3.88
IP(EA), eV:	-9.06(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-6-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)Cl)C(=O)[C@H]2CC3=CC=CC=C3O2

DOS

IR

Vibrations