Geometry & MOs

Info

ID:	171172
PubChem CID:	75338880
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	406.002635
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	10.74
IP(EA), eV:	-8.38(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[[3-(2-amino-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)N3CCOCC3)C)C=C4C(=O)N(C(=O)S4)CC(=O)N

DOS

IR

Vibrations