Geometry & MOs

Info

ID:	171239
PubChem CID:	75348436
Reduced:	BrSN2O3H23C28 (1)
Stoich.:	ABC2D3E23F28 (1)
Weight, g/mol:	636.99615
ΔH_f, kcal/mol:	-26.62
Dipole, Da:	8.03
IP(EA), eV:	-8.37(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-bromo-6-methoxy-4-[[3-(2-naphthalen-1-yloxyethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Br)C)C=C3C(=O)N(C(=O)S3)CCOC4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations