Geometry & MOs

Info

ID:	86671
PubChem CID:	49888394
Reduced:	NSO3H21C25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	580.06676
ΔH_f, kcal/mol:	-39.23
Dipole, Da:	4.08
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-bromo-6-ethoxyphenoxy]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations