Geometry & MOs

Info

ID:	54350
PubChem CID:	17084334
Reduced:	FN5O5H14C18 (1)
Stoich.:	AB5C5D14E18 (1)
Weight, g/mol:	501.134987
ΔH_f, kcal/mol:	-48.37
Dipole, Da:	10.42
IP(EA), eV:	-10.36(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-sulfamoylphenyl)ethyl]carbamimidoyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCCNC(=O)C2=NC(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])F

DOS

IR

Vibrations