Geometry & MOs

Info

ID:	321198
PubChem CID:	126665177
Reduced:	FSO2N4C24H27 (1)
Stoich.:	ABC2D4E24F27 (1)
Weight, g/mol:	363.231063
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	4.7
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R,13R)-1,10-dimethyl-13-(2-phenylethylamino)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@]12CCN([C@@H]([C@@H]1N(C)CC(=O)NC3=NC4=C(S3)C=C(C=C4)F)CC5=C2C=C(C=C5)O)C

DOS

IR

Vibrations