Geometry & MOs

Info

ID:	222818
PubChem CID:	85332625
Reduced:	SN2O5C30H44 (1)
Stoich.:	AB2C5D30E44 (1)
Weight, g/mol:	545.125671
ΔH_f, kcal/mol:	-199.12
Dipole, Da:	6.8
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[[3,6-dioxo-5-[[4-(thiophene-2-carbonylamino)phenyl]methylidene]piperazin-2-ylidene]methyl]phenoxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC=CCC1C(C(OCCC(=CCC(NC(=O)CC(C2(C1=O)CCC2)O)C(=CC3=CSC(=N3)C)C)C)C)O

DOS

IR

Vibrations