Geometry & MOs

Info

ID:	88791
PubChem CID:	49956839
Reduced:	BrFSN3O4H21C24 (1)
Stoich.:	ABCD3E4F21G24 (1)
Weight, g/mol:	465.152241
ΔH_f, kcal/mol:	-119.38
Dipole, Da:	10.32
IP(EA), eV:	-8.96(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-butan-2-yloxybenzoyl)carbamothioylamino]-N-(4-fluorophenyl)benzamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)F)Br

DOS

IR

Vibrations