Geometry & MOs

Info

ID:	88797
PubChem CID:	49956868
Reduced:	N2O3C24H30 (1)
Stoich.:	A2B3C24D30 (1)
Weight, g/mol:	529.0471
ΔH_f, kcal/mol:	-102.15
Dipole, Da:	4.58
IP(EA), eV:	-8.94(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-2-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC=CC(=C1)C(=O)N2CCCCCC2)OC3=CC=CC(=C3)C

DOS

IR

Vibrations