Geometry & MOs

Info

ID:	134246
PubChem CID:	51668597
Reduced:	FON2C25H27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	361.182398
ΔH_f, kcal/mol:	-31.19
Dipole, Da:	2.89
IP(EA), eV:	-8.74(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@H]3[C@@H]([C@@H]1CC/C2=N/N=C\C4=CC=C(C=C4)F)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations