Geometry & MOs

Info

ID:	88813
PubChem CID:	49956992
Reduced:	BrSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	549.00194
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	5.85
IP(EA), eV:	-8.78(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methoxybenzamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCCC3

DOS

IR

Vibrations