Geometry & MOs

Info

ID:	225337
PubChem CID:	85756489
Reduced:	N7O9C30H49 (1)
Stoich.:	A7B9C30D49 (1)
Weight, g/mol:	331.052383
ΔH_f, kcal/mol:	-340.07
Dipole, Da:	5.11
IP(EA), eV:	-9.09(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(C(=O)NC(CO)C(=O)NC(CC1=CC(=C(C=C1)O)[N+](=O)[O-])C(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NCCCC

DOS

IR

Vibrations