Geometry & MOs

Info

ID:	88194
PubChem CID:	49902255
Reduced:	BrNSO2H18C20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	516.03546
ΔH_f, kcal/mol:	-44.28
Dipole, Da:	4.29
IP(EA), eV:	-9.5(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)Br)C

DOS

IR

Vibrations