Geometry & MOs

Info

ID:	171184
PubChem CID:	75340641
Reduced:	ClNSO6C24H24 (1)
Stoich.:	ABCD6E24F24 (1)
Weight, g/mol:	567.0118
ΔH_f, kcal/mol:	-201.6
Dipole, Da:	8.12
IP(EA), eV:	-8.78(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[5-[[3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1COC2=C(C=C(C=C2Cl)C=C3C(=O)N(C(=O)S3)CC(=O)OC(C)C)OC

DOS

IR

Vibrations