Geometry & MOs

Info

ID:	87738
PubChem CID:	49896905
Reduced:	BrSN3O6C26H26 (1)
Stoich.:	ABC3D6E26F26 (1)
Weight, g/mol:	506.094786
ΔH_f, kcal/mol:	-188.92
Dipole, Da:	3.99
IP(EA), eV:	-8.74(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-(2-anilino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] 2-fluorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)Br)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4

DOS

IR

Vibrations