Geometry & MOs

Info

ID:	87351
PubChem CID:	49894254
Reduced:	BrFSN2O4H18C25 (1)
Stoich.:	ABCD2E4F18G25 (1)
Weight, g/mol:	551.082092
ΔH_f, kcal/mol:	-111.71
Dipole, Da:	6.2
IP(EA), eV:	-8.87(-1.56)
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]phenyl] 4-acetamidobenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=C(C=C4)F)Br)/SC2=O

DOS

IR

Vibrations