Geometry & MOs

Info

ID:	193449
PubChem CID:	78396152
Reduced:	FO3N4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	422.997308
ΔH_f, kcal/mol:	-57.17
Dipole, Da:	3.18
IP(EA), eV:	-9.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[3-(2,4-dichlorophenyl)prop-2-enoylcarbamothioylamino]-4-methoxybenzoate

Drug info:

PubChemData

Smile

COCCOC(=O)C1C(N2C(=NC1=C)N=CN2)C3=CC=C(C=C3)F

DOS

IR

Vibrations