Geometry & MOs

Info

ID:	184074
PubChem CID:	77105509
Reduced:	ClFO2S2N3H19C26 (1)
Stoich.:	ABC2D2E3F19G26 (1)
Weight, g/mol:	341.126323
ΔH_f, kcal/mol:	-6.39
Dipole, Da:	9.43
IP(EA), eV:	-8.31(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(E)-3-anilino-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate

Drug info:

PubChemData

Smile

C1C(=C(C(=O)NC1(C2=CSC=C2)C3=NC(=CC=C3)NC4=CC=C(C=C4)F)SC5=CC=CC=C5Cl)O

DOS

IR

Vibrations