Geometry & MOs

Info

ID:	217118
PubChem CID:	85087285
Reduced:	FON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	334.073576
ΔH_f, kcal/mol:	20.24
Dipole, Da:	9.63
IP(EA), eV:	-9.3(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(3-sulfamoylphenyl)urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C#N)C4CC4)F

DOS

IR

Vibrations