Geometry & MOs

Info

ID:	64120
PubChem CID:	29196250
Reduced:	FS2N3O3C17H20 (1)
Stoich.:	AB2C3D3E17F20 (1)
Weight, g/mol:	490.131091
ΔH_f, kcal/mol:	-108.29
Dipole, Da:	5.31
IP(EA), eV:	-8.95(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxy-4-nitrophenyl)-2-[(5R)-2-naphthalen-1-ylimino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCNC(=O)C2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations