Geometry & MOs

Info

ID:	87532
PubChem CID:	49895238
Reduced:	ClFNSO3H15C22 (1)
Stoich.:	ABCDE3F15G22 (1)
Weight, g/mol:	546.218843
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	2.06
IP(EA), eV:	-9.12(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-adamantyl)-2-[2-methoxy-4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)F)Cl)/SC2=O

DOS

IR

Vibrations