Geometry & MOs

Info

ID:	62505
PubChem CID:	26719814
Reduced:	NOSF2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	308.132491
ΔH_f, kcal/mol:	-94.93
Dipole, Da:	4.58
IP(EA), eV:	-9.1(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluorophenyl)-2-propan-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)F)SCCC(=O)NC2=CC(=CC=C2)F

DOS

IR

Vibrations