Geometry & MOs

Info

ID:	171095
PubChem CID:	75328000
Reduced:	SN3O5H15C17 (1)
Stoich.:	AB3C5D15E17 (1)
Weight, g/mol:	639.06748
ΔH_f, kcal/mol:	-51.24
Dipole, Da:	7.42
IP(EA), eV:	-8.38(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-6-ethoxy-4-[[3-[(2-nitrophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(2,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(O1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations