Geometry & MOs

Info

ID:	128899
PubChem CID:	51062850
Reduced:	BrClO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	574.04391
ΔH_f, kcal/mol:	-28.0
Dipole, Da:	11.16
IP(EA), eV:	-8.9(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-4-methyl-3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1COCCN1CCN2C3=CC=CC=C3[N+](=C2N)CC(=O)C4=CC=C(C=C4)Cl.[Br-]

DOS

IR

Vibrations