Geometry & MOs

Info

ID:	87281
PubChem CID:	49893657
Reduced:	INSO3H14C18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	635.94273
ΔH_f, kcal/mol:	-53.48
Dipole, Da:	2.03
IP(EA), eV:	-9.33(-1.49)
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-bromo-6-methoxyphenyl] 4-chlorobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C=CC(=C3)I)O)/SC2=O

DOS

IR

Vibrations