Geometry & MOs

Info

ID:	225297
PubChem CID:	85756447
Reduced:	Cl2N9C30H35 (2)
Stoich.:	A2B9C30D35 (2)
Weight, g/mol:	357.01129
ΔH_f, kcal/mol:	226.44
Dipole, Da:	3.48
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)-3-[4-(1,3-oxazol-5-yl)phenyl]urea

Drug info:

Smile

CCCCCCCCCCCCC1=CC=C(C=C1)N2C3=NC(=NC(=N3)NC4=CC(=CC=C4)NC5=NC(=NC(=N5)Cl)N(C6=NC(=NC(=N6)NC7=CC=CC(=C7)NC8=NC2=NC(=N8)Cl)Cl)C9=CC=C(C=C9)CCCCCCCCCCCC)Cl

DOS

IR

Vibrations