Geometry & MOs

Info

ID:	73876
PubChem CID:	48420878
Reduced:	ClFO2N5C20H21 (1)
Stoich.:	ABC2D5E20F21 (1)
Weight, g/mol:	393.082637
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	4.09
IP(EA), eV:	-8.59(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chloro-6-fluorophenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(1,3-thiazol-2-yl)urea

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=O)N(CCCN2C=CN=C2)CC3=C(C=CC=C3Cl)F

DOS

IR

Vibrations