Geometry & MOs

Info

ID:	50031
PubChem CID:	11538912
Reduced:	SF2O2N5H15C19 (1)
Stoich.:	AB2C2D5E15F19 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-73.63
Dipole, Da:	2.55
IP(EA), eV:	-8.95(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[4-(hydroxycarbamoyl)phenyl]ethynyl]cycloheptyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=NC=NC(=C3)N)F)F

DOS

IR

Vibrations