Geometry & MOs

Info

ID:	139939
PubChem CID:	52620047
Reduced:	FSO2N5C24H24 (1)
Stoich.:	ABC2D5E24F24 (1)
Weight, g/mol:	381.168856
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	6.86
IP(EA), eV:	-8.6(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(E)-3-oxo-3-[2-(propan-2-ylcarbamoylamino)anilino]prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC=C3NC(=O)NC(C)C)CC4=CC=C(C=C4)F

DOS

IR

Vibrations