Geometry & MOs

Info

ID:	88790
PubChem CID:	49956838
Reduced:	NOC7H9 (4)
Stoich.:	ABC7D9 (4)
Weight, g/mol:	545.04202
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	7.79
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[[3-[(4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methoxyethoxy)benzamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC(C)C

DOS

IR

Vibrations