Geometry & MOs

Info

ID:	88113
PubChem CID:	49901511
Reduced:	NSO4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	582.218843
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	3.15
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)O)/C=C\2/C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations