Geometry & MOs

Info

ID:	171213
PubChem CID:	75344371
Reduced:	SN3O4C27H31 (1)
Stoich.:	AB3C4D27E31 (1)
Weight, g/mol:	577.00738
ΔH_f, kcal/mol:	-115.64
Dipole, Da:	7.89
IP(EA), eV:	-8.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-[[2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCC3)OCC4=CC=CC=C4

DOS

IR

Vibrations