Geometry & MOs

Info

ID:	88152
PubChem CID:	49901883
Reduced:	BrClNSO4H25C29 (1)
Stoich.:	ABCDE4F25G29 (1)
Weight, g/mol:	544.96993
ΔH_f, kcal/mol:	-72.14
Dipole, Da:	4.03
IP(EA), eV:	-8.86(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[5-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoate

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC2=CC=C(C=C2)Cl)CC=C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations