Geometry & MOs

Info

ID:	88401
PubChem CID:	49903304
Reduced:	BrSN2O5H25C28 (1)
Stoich.:	ABC2D5E25F28 (1)
Weight, g/mol:	682.86658
ΔH_f, kcal/mol:	-120.82
Dipole, Da:	4.79
IP(EA), eV:	-8.67(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-iodo-6-methoxyphenyl] 3-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)COC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br)OC

DOS

IR

Vibrations