Geometry & MOs

Info

ID:	122764
PubChem CID:	50820513
Reduced:	FOSN5H18C21 (1)
Stoich.:	ABCD5E18F21 (1)
Weight, g/mol:	448.17467
ΔH_f, kcal/mol:	34.98
Dipole, Da:	5.4
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]-3-(3-methoxyphenyl)urea

Drug info:

PubChemData

Smile

CCC1=NC2=NC=NN2C(=C1)SC3=CC=C(C=C3)NC(=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations