Geometry & MOs

Info

ID:	430698
PubChem CID:	135170764
Reduced:	ClSN4O5C19H21 (1)
Stoich.:	ABC4D5E19F21 (1)
Weight, g/mol:	458.211804
ΔH_f, kcal/mol:	-138.71
Dipole, Da:	3.71
IP(EA), eV:	-8.88(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,3R)-3-[(3-cyano-1-benzofuran-2-yl)methylamino]cyclohexyl]-N-ethyl-5-fluoro-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=N1)Cl)SNC2=CC3=C(N=C2)OCCN(C3)C(=O)OC4CCOC4

DOS

IR

Vibrations