Geometry & MOs

Info

ID:	85791
PubChem CID:	49879161
Reduced:	BrO2N5H16C20 (1)
Stoich.:	AB2C5D16E20 (1)
Weight, g/mol:	495.05063
ΔH_f, kcal/mol:	40.21
Dipole, Da:	10.39
IP(EA), eV:	-9.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(E)-benzylideneamino]-4-(4-bromophenyl)imidazol-2-yl]-3-(2,4-difluorophenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)N/N=C\2/C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations