Geometry & MOs

Info

ID:	323307
PubChem CID:	126674088
Reduced:	SC2H6N6 (1)
Stoich.:	AB2C6D6 (1)
Weight, g/mol:	423.132524
ΔH_f, kcal/mol:	100.01
Dipole, Da:	2.17
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-1-[(2-fluorophenyl)methyl]-N-[(3S,4R)-3-fluoropiperidin-4-yl]indole-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1=NNC(=S)N1N(N)N

DOS

IR

Vibrations