Geometry & MOs

Info

ID:	131569
PubChem CID:	51230175
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	450.086113
ΔH_f, kcal/mol:	-204.52
Dipole, Da:	4.77
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(5E)-5-[[4-(difluoromethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-3-fluoro-4-methylbenzamide

Drug info:

PubChemData

Smile

CCC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)NC3=C(SC=C3)C(=O)OC

DOS

IR

Vibrations