Geometry & MOs

Info

ID:	143744
PubChem CID:	53253238
Reduced:	SF2O4N5H15C22 (1)
Stoich.:	AB2C4D5E15F22 (1)
Weight, g/mol:	286.076057
ΔH_f, kcal/mol:	-153.42
Dipole, Da:	5.17
IP(EA), eV:	-8.9(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-chloro-2-methyl-6-[(E)-2-phenylethenyl]benzoate

Drug info:

PubChemData

Smile

CN1C2=NC(=NC=C2C=C(C1=O)S(=O)(=O)C3=C(C=C(C=C3)F)F)NC4=CC5=C(C=C4)NC(=O)C5

DOS

IR

Vibrations