Geometry & MOs

Info

ID:	86626
PubChem CID:	49887774
Reduced:	BrClNSO5H17C25 (1)
Stoich.:	ABCDE5F17G25 (1)
Weight, g/mol:	509.069986
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	3.92
IP(EA), eV:	-9.49(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations