Geometry & MOs

Info

ID:	121285
PubChem CID:	50762072
Reduced:	S2N3O4H15C17 (1)
Stoich.:	A2B3C4D15E17 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	-72.9
Dipole, Da:	2.64
IP(EA), eV:	-8.54(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethylphenyl)-3-[4-(methylamino)-2-oxochromen-3-yl]urea

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CO3)N

DOS

IR

Vibrations