Geometry & MOs

Info

ID:	88325
PubChem CID:	49902942
Reduced:	BrNSO5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	496.99326
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	5.65
IP(EA), eV:	-9.32(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Br

DOS

IR

Vibrations