Geometry & MOs

Info

ID:	87367
PubChem CID:	49894328
Reduced:	ClSN3O5H16C20 (1)
Stoich.:	ABC3D5E16F20 (1)
Weight, g/mol:	517.192294
ΔH_f, kcal/mol:	-142.35
Dipole, Da:	2.92
IP(EA), eV:	-8.94(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] adamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OCC(=O)N)Cl)/SC2=O

DOS

IR

Vibrations