Geometry & MOs

Info

ID:	231063
PubChem CID:	87572543
Reduced:	BPO3H28C36 (1)
Stoich.:	ABC3D28E36 (1)
Weight, g/mol:	559.94572
ΔH_f, kcal/mol:	-18.67
Dipole, Da:	1.77
IP(EA), eV:	-8.37(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-1-iodo-3-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]urea

Drug info:

PubChemData

Smile

B(O)(O)OC1=CC=CC2=C1C3=CC4=CC=CC=C4C=C3C=C2.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations