Geometry & MOs

Info

ID:	64806
PubChem CID:	29204026
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	434.077028
ΔH_f, kcal/mol:	-102.27
Dipole, Da:	4.99
IP(EA), eV:	-8.68(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-5-(3-fluoro-4-methylphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](CN(C1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C(=C4)OC)OC)OC)C

DOS

IR

Vibrations