Geometry & MOs

Info

ID:	65741
PubChem CID:	46386814
Reduced:	ClO3N4H15C21 (1)
Stoich.:	AB3C4D15E21 (1)
Weight, g/mol:	394.099667
ΔH_f, kcal/mol:	-12.86
Dipole, Da:	3.67
IP(EA), eV:	-8.49(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2-pyridin-4-yl-1H-indol-3-yl)-3-[(4-fluorophenyl)methyl]urea

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=C(NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5

DOS

IR

Vibrations