Geometry & MOs

Info

ID:	171124
PubChem CID:	75330452
Reduced:	SBr2N2O4H20C26 (1)
Stoich.:	AB2C2D4E20F26 (1)
Weight, g/mol:	649.91003
ΔH_f, kcal/mol:	-70.8
Dipole, Da:	3.05
IP(EA), eV:	-8.83(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[[3-[(4-bromophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=C(C=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC=CC=C4Br)Br

DOS

IR

Vibrations