Geometry & MOs

Info

ID:	430773
PubChem CID:	135170840
Reduced:	ClSN3O4C16H16 (1)
Stoich.:	ABC3D4E16F16 (1)
Weight, g/mol:	303.174691
ΔH_f, kcal/mol:	-101.15
Dipole, Da:	2.71
IP(EA), eV:	-8.52(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-aminocyclohexyl]-N-ethyl-5-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)O

DOS

IR

Vibrations