Geometry & MOs

Info

ID:	139236
PubChem CID:	52496406
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	361.108086
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	7.14
IP(EA), eV:	-9.22(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-6-chloro-N-[2-(2-methoxyphenoxy)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)C

DOS

IR

Vibrations