Geometry & MOs

Info

ID:	121295
PubChem CID:	50762082
Reduced:	O2S2N3H15C16 (1)
Stoich.:	A2B2C3D15E16 (1)
Weight, g/mol:	337.142641
ΔH_f, kcal/mol:	3.86
Dipole, Da:	2.74
IP(EA), eV:	-8.49(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=C(N(C(=S)S2)CC3=CC=CO3)N

DOS

IR

Vibrations