Geometry & MOs

Info

ID:	323288
PubChem CID:	126673997
Reduced:	SF3N3O5C28H28 (1)
Stoich.:	AB3C3D5E28F28 (1)
Weight, g/mol:	406.141674
ΔH_f, kcal/mol:	-258.57
Dipole, Da:	5.84
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-difluoro-N-(3-fluoropiperidin-4-yl)-1-[(2-fluoropyridin-4-yl)methyl]indole-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1=CC(=C(C=C1)OC)OC)C(=O)[C@H](CCC(=O)O)N=C(NC2=CC=C(C=C2)F)SCC3=C(C=CC=C3F)F

DOS

IR

Vibrations