Geometry & MOs

Info

ID:	46465
PubChem CID:	10524525
Reduced:	Br2N2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	390.964826
ΔH_f, kcal/mol:	-79.45
Dipole, Da:	5.36
IP(EA), eV:	-9.34(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-2-(2,5-dichlorothiophene-3-carbonyl)-3-(2,4-difluoroanilino)prop-2-enoate

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2C=C(C=C3Br)Br)CO)O

DOS

IR

Vibrations