Geometry & MOs

Info

ID:	86848
PubChem CID:	49889663
Reduced:	BrFNSO4H17C25 (1)
Stoich.:	ABCDE4F17G25 (1)
Weight, g/mol:	493.099537
ΔH_f, kcal/mol:	-122.38
Dipole, Da:	6.03
IP(EA), eV:	-9.41(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations