Geometry & MOs

Info

ID:	157617
PubChem CID:	56436117
Reduced:	FN3O3C23H28 (1)
Stoich.:	AB3C3D23E28 (1)
Weight, g/mol:	457.239913
ΔH_f, kcal/mol:	-160.91
Dipole, Da:	6.02
IP(EA), eV:	-9.51(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzoyl-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(C1=CC=CC=C1)C(=O)NCCNC(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations