Geometry & MOs

Info

ID:	218680
PubChem CID:	85089800
Reduced:	ClF2N4O4C23H25 (1)
Stoich.:	AB2C4D4E23F25 (1)
Weight, g/mol:	498.02384
ΔH_f, kcal/mol:	-199.18
Dipole, Da:	6.32
IP(EA), eV:	-9.66(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-bromo-2-(tetrazolidin-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

C1CN(C1C(=O)NCC2=CC=C(C=C2)C(=N)N)C(=O)C(C3=CC(=CC(=C3)Cl)OC(CF)CF)O

DOS

IR

Vibrations