Geometry & MOs

Info

ID:	434374
PubChem CID:	135174807
Reduced:	O3N4C24H32 (1)
Stoich.:	A3B4C24D32 (1)
Weight, g/mol:	391.128729
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	5.1
IP(EA), eV:	-8.73(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[3-[3-(2-oxobutoxy)propoxy]propoxy]phenyl]methanesulfinothioamide

Drug info:

PubChemData

Smile

CC(C)COC1=CC(=CC(=C1)NC(=O)C2=CC=CC(=C2)C(=O)N)CNCC3CCNC3

DOS

IR

Vibrations