Geometry & MOs

Info

ID:	308793
PubChem CID:	126522711
Reduced:	FSO2N8H27C29 (1)
Stoich.:	ABC2D8E27F29 (1)
Weight, g/mol:	360.160456
ΔH_f, kcal/mol:	69.54
Dipole, Da:	6.48
IP(EA), eV:	-8.42(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S,3S)-3-(5-chloro-2-methyl-1H-indol-3-yl)cyclohexyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CC=NC5=N4)C6=CC(=CC(=C6)CNS(=O)(=O)C)F)/NN3

DOS

IR

Vibrations