Geometry & MOs

Info

ID:	88472
PubChem CID:	49903644
Reduced:	BrSN2O4H19C25 (1)
Stoich.:	ABC2D4E19F25 (1)
Weight, g/mol:	629.99577
ΔH_f, kcal/mol:	-69.06
Dipole, Da:	2.7
IP(EA), eV:	-9.02(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-iodo-6-methoxy-4-[(Z)-[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)COC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4Br

DOS

IR

Vibrations