Geometry & MOs

Info

ID:	368413
PubChem CID:	127328338
Reduced:	OSN4C20H26 (1)
Stoich.:	ABC4D20E26 (1)
Weight, g/mol:	343.115462
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	2.08
IP(EA), eV:	-9.1(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)cyclobutyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)C3(CCCC3)SC4=CC=CC=C4

DOS

IR

Vibrations